SCHEMBL11299007

SCHEMBL11299007

O=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.62
OPRK1 P41145 2/20 0.62
OPRL1 P41146 2/20 0.62
CHRM1 P11229 5/20 0.61
CHRM2 P08172 2/20 0.61
CHRM4 P08173 2/20 0.61
CHRM3 P20309 1/20 0.61
SLC18A3 Q16572 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD2 P14416 1/20 0.56
KCNH2 Q12809 1/20 0.56
HSD11B1 P28845 3/20 0.56

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
SCHEMBL7488468 0.87 OPRM1 (0.60) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7488823 0.84 CYP2D6 (0.60) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL5962492 0.84 CHRM1 (0.64) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL319049 0.81 CHRM1 (0.70) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7491573 0.79 OPRM1 (0.64) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7489071 0.79 OPRM1 (0.65) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL13081211 0.79 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL4152396 0.79 CYP2D6 (0.70) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL14593660 0.79 CHRM1 (0.68) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL13351318 0.79 CHRM1 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338323-A Piperidylbenzimidazolinone derivatives SCIENCE UNION ET CIE (FR) 1982-07-06 US disclosed
US-4264613-A Piperidylbenzimidazolinone compounds SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-04-28 US disclosed