SCHEMBL8565700

SCHEMBL8565700

COc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.56
CHRM2 P08172 2/20 0.56
SIGMAR1 Q99720 3/20 0.54
OPRM1 P35372 1/20 0.53
DRD4 P21917 3/20 0.53
DRD2 P14416 1/20 0.53
CCR8 P51685 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
CXCR3 P49682 1/20 0.45

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
SCHEMBL6166416 0.95 CHRM3 (0.52) CHRM3CHRM2SIGMAR1OPRM1DRD4
Hydrochloric Acid SCHEMBL6168628 0.94 CHRM3 (0.52) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL8570359 0.92 CHRM3 (0.51) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL8567234 0.92 CHRM2 (0.50) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL8571599 0.91 CHRM3 (0.46) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL8570499 0.90 CHRM3 (0.55) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL6166562 0.90 CHRM3 (0.55) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL6169679 0.90 CHRM3 (0.48) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL5100213 0.90 CHRM3 (0.45) CHRM3CHRM2SIGMAR1OPRM1DRD4
SCHEMBL8570094 0.89 CHRM3 (0.51) CHRM3CHRM2SIGMAR1OPRM1DRD4

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