Submission Details
Molecule(s):
COc1ccc2c(c1)C(CCNC(C)=O)C(=O)N2
COc1ccc2c(c1)C(O)(CCNC(C)=O)CN2
COc1ccc2c(c1)c(CCNC(C)=O)cn2C1OC(C(=O)O)C(O)C(O)C1O
COc1ccc2[nH]c3c(c2c1)CCN3C(C)=O
CC(=O)N1CCc2c1[nH]c1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc21
COc1cc2c3c([nH]c2cc1O)N(C(C)=O)CC3
O=CCc1c[nH]c2ccc(O)cc12
COc1c(O)cc2[nH]cc(CCNC(C)=O)c2c1O
Design Rationale:
Metabolites of melatonin, which has a striking similarity to Diamond hit x0104
Other Notes:
Suggested by John Chodera based on the observation by Martin Smiesko and Markus Lill that Diamond hit x0104 bears a striking similarity to melatonin