SCHEMBL6167790

SCHEMBL6167790

COCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccc(F)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.43
CHRM3 P20309 6/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 1/20 0.42
CCR8 P51685 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL6166931 0.93 CHRM3 (0.43) CHRM2CHRM3CCR8DRD2DRD4
SCHEMBL6168017 0.92 CHRM2 (0.44) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6167620 0.92 CHRM3 (0.41) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6165720 0.91 CHRM3 (0.47) CHRM2CHRM3CCR8DRD2DRD4
SCHEMBL6167793 0.89 CCR8 (0.41) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6167277 0.88 CHRM3 (0.53) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6167614 0.88 CHRM2 (0.44) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL6169679 0.87 CHRM3 (0.48) CHRM2CHRM3CCR8DRD2DRD4
SCHEMBL6170271 0.85 CHRM2 (0.45) CHRM2CHRM3CYP2D6CYP2C9CYP2C19
SCHEMBL8565541 0.84 CHRM2 (0.54) CHRM2CHRM3CYP2D6CYP2C9CYP2C19

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