SCHEMBL8569508

SCHEMBL8569508

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
OPRM1 P35372 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 2/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
OPRL1 P41146 1/20 0.46
CXCR3 P49682 1/20 0.45
CCR5 P51681 1/20 0.44
HTT P42858 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
SCHEMBL6168165 0.96 CHRM3 (0.49) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL29445321 0.93 OPRL1 (0.52) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL6168606 0.93 OPRL1 (0.52) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL8564439 0.89 CHRM2 (0.55) CHRM2CHRM3OPRM1DRD2DRD4
SCHEMBL6166884 0.88 CHRM3 (0.51) CHRM2CHRM3OPRM1DRD2DRD4
SCHEMBL6168575 0.88 CHRM3 (0.50) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL8565096 0.88 CCR5 (0.48) CHRM2CHRM3ACHESIGMAR1OPRL1
SCHEMBL8567873 0.88 MEN1 (0.49) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL6165224 0.87 OPRM1 (0.52) MEN1KMT2ACHRM3OPRM1DRD4
SCHEMBL8570499 0.87 CHRM3 (0.55) MEN1KMT2ACHRM2CHRM3OPRM1

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