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SCHEMBL4005682

SCHEMBL4005682

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nc1C(F)F.CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC2)nc1C(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.68
▸ CYP2C9 P11712 6/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL3590535 0.97 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3584028 0.95 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4010988 0.93 P2RY12 (0.62) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3591705 0.90 P2RY12 (0.69) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3592246 0.89 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3591353 0.88 P2RY12 (0.69) P2RY12CYP2C9CYP3A4
SCHEMBL4099887 0.88 P2RY12 (0.85) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3591830 0.87 P2RY12 (0.67) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3595009 0.86 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5056974 0.86 P2RY12 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 — — EP claimed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 — — WO claimed