SCHEMBL7586868

SCHEMBL7586868

COCn1c(=O)n(C2CCNCC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.48
OPRM1 P35372 7/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.44
C5AR1 P21730 7/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2482744 0.87 CYP3A4 (0.52) OPRL1OPRM1OPRD1OPRK1C5AR1
SCHEMBL8060424 0.85 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1C5AR1
SCHEMBL8059497 0.82 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1C5AR1
SCHEMBL14417274 0.82 KDM4E (0.55) OPRL1OPRM1OPRD1
SCHEMBL14515131 0.81 CTSS (0.43) OPRL1OPRM1OPRD1C5AR1
SCHEMBL14515137 0.80 CYP3A4 (0.57) OPRL1OPRM1C5AR1CYP3A4
SCHEMBL8478720 0.80 CACNA1G (0.52) OPRL1OPRM1OPRK1C5AR1CACNA1G
SCHEMBL8058238 0.80 CACNA1G (0.48) OPRL1OPRM1OPRK1C5AR1CACNA1G
SCHEMBL5389259 0.80 C5AR1 (0.62) OPRL1OPRM1OPRD1OPRK1C5AR1
SCHEMBL14198897 0.80 OPRL1 (0.43) OPRL1OPRM1OPRK1C5AR1CACNA1G

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