SCHEMBL8563876

SCHEMBL8563876

COc1ccccc1CN1CCC(N2C(=O)Nc3ccccc3C2c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.54
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
GNAI3 P08754 1/20 0.48
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
CXCR4 P61073 1/20 0.44
CXCR3 P49682 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 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
SCHEMBL8565287 0.85 CHRM3 (0.53) CHRM3MEN1KMT2APOLBCHRM1
SCHEMBL8570499 0.85 CHRM3 (0.55) CHRM3MEN1KMT2ACHRM2ACHE
SCHEMBL6167993 0.85 MEN1 (0.59) CHRM3MEN1KMT2APOLBCHRM2
SCHEMBL29445321 0.84 OPRL1 (0.52) CHRM3MEN1KMT2ACHRM2ACHE
SCHEMBL6168606 0.84 OPRL1 (0.52) CHRM3MEN1KMT2ACHRM2ACHE
SCHEMBL6166562 0.83 CHRM3 (0.55) CHRM3MEN1KMT2ACHRM2ACHE
SCHEMBL6165994 0.82 CHRM1 (0.48) CHRM3CHRM1ACHECXCR3ALDH1A1
SCHEMBL8564971 0.82 TACR1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL8565700 0.82 CHRM3 (0.56) CHRM3KMT2ACHRM2SIGMAR1CXCR3
SCHEMBL8568996 0.81 KDM1A (0.49) CHRM3MEN1KMT2ACHRM2CHRM1

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