SCHEMBL8566631

SCHEMBL8566631

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(C2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.49
OPRK1 P41145 8/20 0.49
OPRD1 P41143 4/20 0.49
OGFRL1 Q5TC84 2/20 0.49
SLC18A3 Q16572 1/20 0.49
OPRL1 P41146 10/20 0.47
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 3/20 0.42
CYP2B6 P20813 1/20 0.42

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
SCHEMBL8570338 0.88 CHRM2 (0.45) OPRM1OPRK1OPRD1OGFRL1SLC18A3
SCHEMBL6164725 0.84 CHRM3 (0.50) OPRM1OPRK1OPRD1OPRL1CHRM3
SCHEMBL8564042 0.84 CHRM2 (0.43) CYP2D6CHRM2CHRM3ALDH1A1
Hydrochloric Acid SCHEMBL6166889 0.83 CHRM3 (0.49) OPRM1OPRK1OPRD1OPRL1CHRM3
SCHEMBL5103372 0.81 SLC18A3 (0.40) OPRD1SLC18A3ALDH1A1
SCHEMBL6168606 0.81 OPRL1 (0.52) OPRM1OPRK1OPRL1CYP2D6CYP2C19
SCHEMBL29445321 0.81 OPRL1 (0.52) OPRM1OPRK1OPRL1CYP2D6CYP2C19
SCHEMBL8564971 0.81 TACR1 (0.43) OPRM1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL8571208 0.80 KDM1A (0.40) OPRD1SLC18A3ALDH1A1
SCHEMBL6168102 0.80 CHRM3 (0.42) OPRM1OPRK1OPRD1OPRL1CHRM3

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
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed