SCHEMBL45987

SCHEMBL45987

CCN(C)C1Cc2ccc(O)c3c2C2C(O3)C(=O)C=CC21O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12830845 0.80 MAOA (0.33) MAOAOPRM1OPRD1
SCHEMBL11888556 0.80 MAOA (0.32) MAOAOPRM1OPRD1OPRK1
SCHEMBL10072372 0.77 HCRTR1 (0.38) OPRM1OPRK1
SCHEMBL45963 0.77 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL45989 0.76
SCHEMBL19322756 0.71 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL19322760 0.71 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL17552962 0.71 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL46027 0.67
SCHEMBL12337178 0.67 OPRM1 (0.38) OPRM1OPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012005795-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS ALKERMES, INC. (US) 2012-01-12 WO disclosed