SCHEMBL8569557

SCHEMBL8569557

Cc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.54
CHRM3 P20309 4/20 0.54
DRD4 P21917 4/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 1/20 0.52
BACE1 P56817 2/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.45
OPRL1 P41146 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL6168606 0.91 OPRL1 (0.52) CHRM2CHRM3DRD4DRD2DRD3
SCHEMBL29445321 0.91 OPRL1 (0.52) CHRM2CHRM3DRD4DRD2DRD3
SCHEMBL8570520 0.90 OPRL1 (0.45) CHRM2CHRM3DRD4DRD2DRD3
SCHEMBL8564439 0.89 CHRM2 (0.55) CHRM2CHRM3DRD4DRD2DRD3
SCHEMBL5100221 0.88 OPRL1 (0.44) CHRM2CHRM3DRD4DRD2DRD3
SCHEMBL8562946 0.88 CHRM3 (0.54) CHRM2CHRM3ACHEOPRL1OPRM1
SCHEMBL8571871 0.88 CHRM3 (0.54) CHRM2CHRM3DRD2DRD3BACE1
SCHEMBL6164748 0.88 OPRL1 (0.44) CHRM2CHRM3DRD2ACHEOPRL1
SCHEMBL8565541 0.88 CHRM2 (0.54) CHRM2CHRM3KMT2AOPRL1ALDH1A1
SCHEMBL8565802 0.87 MEN1 (0.45) CHRM2CHRM3DRD4DRD2ACHE

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