SCHEMBL8565802

SCHEMBL8565802

CSc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRL1 P41146 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
OPRM1 P35372 1/20 0.41
CHRM3 P20309 7/20 0.41
CHRM2 P08172 6/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.39

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
Hydrochloric Acid SCHEMBL8565958 0.99 MEN1 (0.44) MEN1KMT2AOPRL1ALDH1A1SIGMAR1
SCHEMBL29445321 0.88 OPRL1 (0.52) MEN1KMT2AOPRL1OPRM1CHRM3
SCHEMBL6168606 0.88 OPRL1 (0.52) MEN1KMT2AOPRL1OPRM1CHRM3
SCHEMBL8570520 0.87 OPRL1 (0.45) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL8569557 0.87 CHRM2 (0.54) MEN1KMT2AOPRL1ALDH1A1OPRM1
SCHEMBL8564439 0.86 CHRM2 (0.55) OPRL1ALDH1A1SIGMAR1OPRM1CHRM3
SCHEMBL5100221 0.86 OPRL1 (0.44) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL6164748 0.85 OPRL1 (0.44) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL8571871 0.85 CHRM3 (0.54) OPRL1SIGMAR1OPRM1CHRM3CHRM2
SCHEMBL8562946 0.85 CHRM3 (0.54) OPRL1OPRM1CHRM3CHRM2ACHE

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