SCHEMBL7586871

SCHEMBL7586871

COCN1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
OPRM1 P35372 9/20 0.68
OPRL1 P41146 3/20 0.67
OPRK1 P41145 3/20 0.67
CHRM1 P11229 3/20 0.65
DRD2 P14416 2/20 0.64
KCNH2 Q12809 1/20 0.64
PLD1 Q13393 1/20 0.62
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
OPRD1 P41143 1/20 0.61
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60

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
SCHEMBL5773820 0.88 CHRM1 (0.75) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL7963223 0.85 CYP2D6 (0.77) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL6404540 0.85 PLD1 (0.81) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL2982735 0.83 CHRM1 (0.71) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL28539041 0.83 CYP2D6 (0.86) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL5984495 0.83 CYP2D6 (0.85) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL23374511 0.82 PLD1 (0.72) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL6404859 0.82 CHRM1 (0.88) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL5771940 0.82 OPRM1 (0.88) CYP2D6CYP2C9OPRM1OPRL1OPRK1
SCHEMBL7849321 0.81 OPRM1 (1.00) OPRM1OPRL1OPRK1DRD2PLD1

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-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed