SCHEMBL8570499

SCHEMBL8570499

COc1ccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.55
CHRM2 P08172 2/20 0.55
OPRM1 P35372 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
CXCR3 P49682 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CCR5 P51681 1/20 0.46
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL6166562 0.96 CHRM3 (0.55) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL8565700 0.90 CHRM3 (0.56) CHRM3CHRM2OPRM1KMT2ASIGMAR1
SCHEMBL29445321 0.89 OPRL1 (0.52) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL6168606 0.89 OPRL1 (0.52) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL6166416 0.89 CHRM3 (0.52) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL6166885 0.89 CHRM3 (0.52) CHRM3CHRM2OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL6168628 0.88 CHRM3 (0.52) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL8569508 0.87 MEN1 (0.53) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL6165720 0.87 CHRM3 (0.47) CHRM3CHRM2OPRM1MEN1KMT2A
SCHEMBL8563876 0.85 CHRM3 (0.54) CHRM3CHRM2MEN1KMT2ASIGMAR1

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