SCHEMBL6167620

SCHEMBL6167620

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.41
CHRM2 P08172 5/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
CCR8 P51685 1/20 0.40
OPRL1 P41146 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 0.94 CHRM3 (0.43) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6167790 0.92 CHRM2 (0.43) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6165720 0.92 CHRM3 (0.47) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6167614 0.92 CHRM2 (0.44) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6170271 0.91 CHRM2 (0.45) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6169683 0.90 MEN1 (0.48) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6168017 0.88 CHRM2 (0.44) CHRM3CHRM2OPRM1CCR8CYP2D6
SCHEMBL6169679 0.88 CHRM3 (0.48) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6168165 0.88 CHRM3 (0.49) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6167793 0.86 CCR8 (0.41) CHRM3CHRM2DRD2DRD4OPRM1

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