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Sugi Predict / Compounds / SCHEMBL4807953

SCHEMBL4807953

SCHEMBL4807953

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1CC.Cc1nc(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)c(C#N)cc1C(=O)OCC(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.78
▸ CYP2C9 P11712 6/20 0.78
▸ CYP3A4 P08684 4/20 0.78
▸ CHRM2 P08172 1/20 0.65
▸ DRD3 P35462 1/20 0.65

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
SCHEMBL4784240 1.00 P2RY12 (0.78) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4739540 0.92 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4736359 0.90 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4738821 0.89 P2RY12 (0.85) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4992648 0.88 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4878625 0.88 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4873260 0.88 P2RY12 (0.85) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3223721 0.87 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4787146 0.86 P2RY12 (0.80) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3588598 0.86 P2RY12 (0.75) 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