SCHEMBL8565287

SCHEMBL8565287

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.53
OPRM1 P35372 9/20 0.49
DRD4 P21917 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
CXCR4 P61073 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD2 P14416 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL29445321 0.88 OPRL1 (0.52) CHRM3OPRM1DRD4DRD2MEN1
SCHEMBL6168606 0.88 OPRL1 (0.52) CHRM3OPRM1DRD4DRD2MEN1
SCHEMBL8569508 0.86 MEN1 (0.53) CHRM3OPRM1DRD4ALDH1A1DRD2
SCHEMBL6165994 0.85 CHRM1 (0.48) CHRM3ALDH1A1CHRM1
SCHEMBL8563876 0.85 CHRM3 (0.54) CHRM3POLBALDH1A1CXCR4CHRM1
SCHEMBL6168165 0.83 CHRM3 (0.49) CHRM3OPRM1DRD4ALDH1A1DRD2
SCHEMBL8564971 0.83 TACR1 (0.43) OPRM1DRD4ALDH1A1DRD2MEN1
SCHEMBL8565096 0.83 CCR5 (0.48) CHRM3SIGMAR1
SCHEMBL8568112 0.82 MAOA (0.41) CHRM3DRD4CHRM1DRD2SIGMAR1
SCHEMBL8564439 0.82 CHRM2 (0.55) CHRM3OPRM1DRD4ALDH1A1ATM

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