SCHEMBL6170271

SCHEMBL6170271

COCc1cccc(CN2CCC(N3C(=O)Nc4cc(Cl)ccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.45
CHRM3 P20309 6/20 0.45
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
DRD3 P35462 3/20 0.42
OPRM1 P35372 1/20 0.42
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRL1 P41146 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6169683 0.94 MEN1 (0.48) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6166931 0.92 CHRM3 (0.43) CHRM2CHRM3DRD2DRD4OPRM1
SCHEMBL6167620 0.91 CHRM3 (0.41) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6168575 0.91 CHRM3 (0.50) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6167614 0.90 CHRM2 (0.44) CHRM2CHRM3DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6166573 0.90 CHRM3 (0.49) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6165720 0.85 CHRM3 (0.47) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6167790 0.85 CHRM2 (0.43) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6169679 0.84 CHRM3 (0.48) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL6168017 0.84 CHRM2 (0.44) CHRM2CHRM3OPRM1ALDH1A1MEN1

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