SCHEMBL6167993

SCHEMBL6167993

COc1ccccc1C1c2ccccc2NC(=O)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD11B1 P28845 1/20 0.48
OPRL1 P41146 2/20 0.47
OPRM1 P35372 1/20 0.47
POLB P06746 2/20 0.47
CHRM3 P20309 3/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
CHRM4 P08173 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CCR8 P51685 1/20 0.45
CHRM2 P08172 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
SCHEMBL6166562 0.85 CHRM3 (0.55) MEN1KMT2AALDH1A1OPRL1OPRM1
SCHEMBL8563876 0.85 CHRM3 (0.54) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL6168606 0.84 OPRL1 (0.52) MEN1KMT2AOPRL1OPRM1CHRM3
SCHEMBL29445321 0.84 OPRL1 (0.52) MEN1KMT2AOPRL1OPRM1CHRM3
SCHEMBL6169694 0.84 OPRL1 (0.49) KDM4EOPRL1OPRM1CHRM3ACHE
SCHEMBL8570499 0.83 CHRM3 (0.55) MEN1KMT2AALDH1A1OPRM1CHRM3
SCHEMBL6166416 0.83 CHRM3 (0.52) MEN1KMT2AKDM4EALDH1A1OPRM1
Hydrochloric Acid SCHEMBL6167901 0.83 OPRL1 (0.48) KDM4EOPRL1OPRM1CHRM3ACHE
Hydrochloric Acid SCHEMBL6168628 0.82 CHRM3 (0.52) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL8565700 0.82 CHRM3 (0.56) KMT2AKDM4EALDH1A1OPRM1CHRM3

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-1122253-B1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMA (JP) 2005-08-17 EP disclosed
US-6645971-B1 Pollakiuria and urinary incontinence treatment; muscarinic receptor antagonists; anticholinergic, anticonvulsants, antiulcer, and antiasthmatics; Parkinson*s disease SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-11-11 US disclosed
EP-1122253-A1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-08-08 EP disclosed