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SCHEMBL3223696

SCHEMBL3223696

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC(C)C

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.85
▸ CYP2C9 P11712 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL3225439 0.92 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226991 0.92 P2RY12 (0.83) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3238853 0.91 P2RY12 (0.88) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226910 0.91 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3225453 0.91 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3231375 0.87 P2RY12 (0.83) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3230575 0.86 P2RY12 (0.82) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3232633 0.83 P2RY12 (0.82) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3259530 0.80 P2RY12 (0.71) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3223719 0.78 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-2010005384-A1 KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ASTRAZENECA AB (SE) 2010-01-14 — — WO disclosed