SCHEMBL8562946

SCHEMBL8562946

Nc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.54
CHRM2 P08172 10/20 0.54
OPRL1 P41146 2/20 0.44
ACHE P22303 2/20 0.43
F2 P00734 3/20 0.41
F10 P00742 3/20 0.41
PRSS1 P07477 2/20 0.41
OPRM1 P35372 1/20 0.41
CHRM1 P11229 1/20 0.40

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) CHRM3CHRM2OPRL1ACHEOPRM1
SCHEMBL6168606 0.91 OPRL1 (0.52) CHRM3CHRM2OPRL1ACHEOPRM1
SCHEMBL8564439 0.89 CHRM2 (0.55) CHRM3CHRM2OPRL1OPRM1
SCHEMBL8570520 0.88 OPRL1 (0.45) CHRM3CHRM2OPRL1ACHEOPRM1
SCHEMBL8571871 0.88 CHRM3 (0.54) CHRM3CHRM2OPRL1ACHEOPRM1
SCHEMBL8569557 0.88 CHRM2 (0.54) CHRM3CHRM2OPRL1ACHEOPRM1
SCHEMBL8565541 0.88 CHRM2 (0.54) CHRM3CHRM2OPRL1
SCHEMBL6164748 0.88 OPRL1 (0.44) CHRM3CHRM2OPRL1ACHEOPRM1
SCHEMBL8564098 0.87 OPRK1 (0.50) F2F10PRSS1OPRM1
SCHEMBL5100221 0.86 OPRL1 (0.44) CHRM3CHRM2OPRL1ACHEOPRM1

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