SCHEMBL5267633

SCHEMBL5267633

Cc1nc(N2CCC(C(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(C#N)cc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.69
CYP2C9 P11712 5/20 0.56
CYP3A4 P08684 3/20 0.56
CHRM2 P08172 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL5319003 0.92 P2RY12 (0.68) P2RY12CYP2C9CYP3A4
SCHEMBL4105915 0.92 P2RY12 (0.80) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5592431 0.90 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5011855 0.89 P2RY12 (0.56) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5265091 0.88 P2RY12 (0.72) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5592344 0.86 P2RY12 (0.62) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5611230 0.86 P2RY12 (0.50) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3591830 0.84 P2RY12 (0.67) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4098975 0.83 P2RY12 (0.79) P2RY12CYP2C9CYP3A4
SCHEMBL4115362 0.82 P2RY12 (0.69) P2RY12CYP2C9CYP3A4CHRM2DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP claimed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed