SCHEMBL7547331

SCHEMBL7547331

O=c1[nH]c2ccccc2n1C1CCN(C2(c3ccccc3)CCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.62
OPRK1 P41145 5/20 0.62
OPRL1 P41146 5/20 0.62
CHRM1 P11229 5/20 0.59
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CHRM3 P20309 1/20 0.59
SLC18A3 Q16572 1/20 0.55
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52
KCNH2 Q12809 1/20 0.52
TNKS O95271 1/20 0.52
OPRD1 P41143 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL7492650 0.98 OPRM1 (0.65) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL6838280 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL6834514 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7542124 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL6214489 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7486227 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7489074 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7490310 0.96 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7492314 0.95 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL6840980 0.91 OPRM1 (0.57) OPRM1OPRK1OPRL1CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 EP disclosed
EP-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP disclosed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 WO disclosed