SCHEMBL8565541

SCHEMBL8565541

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.54
CHRM3 P20309 6/20 0.54
SIGMAR1 Q99720 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45
OPRL1 P41146 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6168075 0.95 CHRM3 (0.50) CHRM2CHRM3SIGMAR1CYP2D6CYP2C9
SCHEMBL29445321 0.91 OPRL1 (0.52) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6168606 0.91 OPRL1 (0.52) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6167277 0.90 CHRM3 (0.53) CHRM2CHRM3SIGMAR1CYP2D6CYP2C9
SCHEMBL8564439 0.89 CHRM2 (0.55) CHRM2CHRM3SIGMAR1CYP2D6CYP2C9
SCHEMBL6168220 0.89 CHRM2 (0.49) CHRM2CHRM3SIGMAR1CYP2D6CYP2C9
SCHEMBL8569557 0.88 CHRM2 (0.54) CHRM2CHRM3ALDH1A1KMT2AOPRL1
SCHEMBL8571871 0.88 CHRM3 (0.54) CHRM2CHRM3SIGMAR1OPRL1
SCHEMBL8562946 0.88 CHRM3 (0.54) CHRM2CHRM3OPRL1
SCHEMBL8570520 0.88 OPRL1 (0.45) CHRM2CHRM3OPRL1

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