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SCHEMBL4907186

SCHEMBL4907186

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C.CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C.CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C.Cc1nc(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)c(C#N)cc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.77
▸ CYP2C9 P11712 7/20 0.77
▸ CYP3A4 P08684 5/20 0.77
▸ CHRM2 P08172 1/20 0.75
▸ DRD3 P35462 1/20 0.75

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
SCHEMBL4994162 0.93 P2RY12 (0.88) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4786574 0.93 P2RY12 (0.78) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4784757 0.93 P2RY12 (0.90) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4785483 0.90 P2RY12 (0.74) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4992042 0.89 P2RY12 (0.95) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4996029 0.89 P2RY12 (0.94) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4880786 0.89 P2RY12 (0.87) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4997261 0.88 P2RY12 (0.82) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4880773 0.88 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4877051 0.87 P2RY12 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 — — WO disclosed