SCHEMBL8565038

SCHEMBL8565038

O=C1Nc2ccncc2C(c2ccccc2)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.47
CHRM2 P08172 5/20 0.47
OPRL1 P41146 2/20 0.47
CCR5 P51681 3/20 0.46
SIGMAR1 Q99720 2/20 0.44
P2RX7 Q99572 1/20 0.44
ACHE P22303 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
TRPV6 Q9H1D0 2/20 0.43
OPRM1 P35372 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
SCHEMBL8573043 0.91 SIGMAR1 (0.43) CHRM3CHRM2OPRL1CCR5SIGMAR1
SCHEMBL8570094 0.89 CHRM3 (0.51) CHRM3CHRM2SIGMAR1P2RX7OPRM1
SCHEMBL8570739 0.89 CHRM2 (0.54) CHRM3CHRM2OPRL1CCR5SIGMAR1
SCHEMBL8565096 0.88 CCR5 (0.48) CHRM3CHRM2OPRL1CCR5SIGMAR1
SCHEMBL8564511 0.87 CCR5 (0.36) CHRM3CHRM2OPRL1CCR5SIGMAR1
SCHEMBL6168606 0.87 OPRL1 (0.52) CHRM3CHRM2OPRL1CCR5ACHE
SCHEMBL29445321 0.87 OPRL1 (0.52) CHRM3CHRM2OPRL1CCR5ACHE
SCHEMBL8562015 0.83 TNKS (0.36) SIGMAR1
SCHEMBL8567873 0.82 MEN1 (0.49) CHRM3CHRM2OPRL1OPRM1
SCHEMBL6168220 0.81 CHRM2 (0.49) CHRM3CHRM2OPRL1SIGMAR1ACHE

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