SCHEMBL9466239

SCHEMBL9466239

COC(=O)C1(N(C(=O)C(C)OC)c2ccccc2F)CCN(CCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRD1 P41143 2/20 0.41
CACNA1C Q13936 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL9466532 0.86 OPRM1 (0.54) OPRM1OPRD1CACNA1COPRK1
SCHEMBL10841897 0.81 OPRD1 (0.40) OPRM1OPRD1CACNA1COPRK1
SCHEMBL9466272 0.76 OPRM1 (0.54) OPRM1OPRD1CACNA1COPRK1ALDH1A1
SCHEMBL9780089 0.75 OPRM1 (0.71) OPRM1OPRD1CACNA1COPRK1
SCHEMBL10842356 0.74 OPRM1 (0.52) OPRM1OPRD1CACNA1COPRK1
SCHEMBL9780091 0.74 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL10969694 0.72 OPRD1 (0.40) OPRM1OPRD1CACNA1COPRK1
SCHEMBL10843543 0.70 OPRM1 (0.39) OPRM1OPRD1CACNA1COPRK1KDM4E
SCHEMBL9467323 0.70 OPRD1 (0.77) OPRM1OPRD1CACNA1COPRK1ALDH1A1
SCHEMBL9466472 0.70 ALDH1A1 (0.40) KDM4EALDH1A1POLBRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed