SCHEMBL8570739

SCHEMBL8570739

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccnc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
CHRM3 P20309 2/20 0.54
TRPV6 Q9H1D0 3/20 0.50
SIGMAR1 Q99720 1/20 0.49
CCR5 P51681 1/20 0.47
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 1/20 0.46
OPRL1 P41146 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
ACHE P22303 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
CALCRL Q16602 1/20 0.43
CHRM1 P11229 1/20 0.42
DRD4 P21917 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
SCHEMBL29445321 0.91 OPRL1 (0.52) CHRM2CHRM3CCR5OPRL1OPRM1
SCHEMBL6168606 0.91 OPRL1 (0.52) CHRM2CHRM3CCR5OPRL1OPRM1
SCHEMBL8565096 0.90 CCR5 (0.48) CHRM2CHRM3TRPV6SIGMAR1CCR5
SCHEMBL8565038 0.89 CHRM3 (0.47) CHRM2CHRM3TRPV6SIGMAR1CCR5
SCHEMBL6168165 0.84 CHRM3 (0.49) CHRM2CHRM3SIGMAR1OPRL1OPRM1
SCHEMBL8569508 0.84 MEN1 (0.53) CHRM2CHRM3SIGMAR1CCR5OPRL1
SCHEMBL8570369 0.84 CHRM3 (0.50) CHRM2CHRM3OPRL1OPRM1OPRK1
SCHEMBL6167277 0.83 CHRM3 (0.53) CHRM2CHRM3SIGMAR1OPRL1ACHE
SCHEMBL8564439 0.83 CHRM2 (0.55) CHRM2CHRM3SIGMAR1KDM4EOPRL1
SCHEMBL8570520 0.82 OPRL1 (0.45) CHRM2CHRM3OPRL1OPRM1ACHE

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