SCHEMBL6167793

SCHEMBL6167793

COCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3F)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.41
CHRM3 P20309 8/20 0.40
CHRM2 P08172 7/20 0.40
PDE6D O43924 5/20 0.39
OPRM1 P35372 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRL1 P41146 2/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 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
SCHEMBL6167790 0.89 CHRM2 (0.43) CCR8CHRM3CHRM2OPRM1ALDH1A1
SCHEMBL6166931 0.89 CHRM3 (0.43) CCR8CHRM3CHRM2OPRM1OPRL1
SCHEMBL6168017 0.89 CHRM2 (0.44) CCR8CHRM3CHRM2OPRM1ALDH1A1
SCHEMBL6169694 0.87 OPRL1 (0.49) CHRM3CHRM2PDE6DOPRM1KDM4E
SCHEMBL6167620 0.86 CHRM3 (0.41) CCR8CHRM3CHRM2OPRM1OPRL1
Hydrochloric Acid SCHEMBL6167901 0.86 OPRL1 (0.48) CHRM3CHRM2PDE6DOPRM1KDM4E
SCHEMBL6165720 0.86 CHRM3 (0.47) CCR8CHRM3CHRM2OPRM1ALDH1A1
SCHEMBL6167614 0.86 CHRM2 (0.44) CCR8CHRM3CHRM2OPRM1KDM4E
SCHEMBL6169679 0.85 CHRM3 (0.48) CCR8CHRM3CHRM2OPRM1KDM4E
SCHEMBL6170271 0.81 CHRM2 (0.45) CHRM3CHRM2OPRM1KDM4EALDH1A1

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