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Sugi Predict / Compounds / SCHEMBL3220360

SCHEMBL3220360

SCHEMBL3220360

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3F)CC2)nc1C

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.85
▸ CYP2C9 P11712 4/20 0.68
▸ CYP3A4 P08684 3/20 0.68
▸ CHRM2 P08172 1/20 0.64
▸ DRD3 P35462 1/20 0.64

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
SCHEMBL3217332 0.93 P2RY12 (0.88) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3205367 0.92 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3205004 0.92 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3230320 0.90 P2RY12 (0.81) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226933 0.90 P2RY12 (0.81) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4738823 0.89 P2RY12 (0.85) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3218757 0.89 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3219694 0.88 P2RY12 (0.90) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3231186 0.88 P2RY12 (0.88) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3209585 0.87 P2RY12 (0.84) 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
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 — — WO claimed
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 — — WO disclosed