SCHEMBL45963

SCHEMBL45963

CCN(C)C1Cc2ccc(O)c3c2C2C(O3)C(=O)CCC21O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 2/20 0.35

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
SCHEMBL46027 0.91
SCHEMBL12337178 0.89 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL13823666 0.88 OPRM1 (0.32) OPRM1
SCHEMBL18473622 0.87 HCRTR1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL13962904 0.86 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL14202054 0.86 KDM1A (0.36) OPRM1OPRD1OPRK1
SCHEMBL13379143 0.83 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL14292473 0.82 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL19937935 0.81 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL13825005 0.80 OPRM1 (0.36) 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