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Sugi Predict / Compounds / SCHEMBL3223687

SCHEMBL3223687

SCHEMBL3223687

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1OC

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.87
▸ CYP2C9 P11712 6/20 0.66
▸ CYP3A4 P08684 4/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL3225637 0.94 P2RY12 (0.87) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3327520 0.93 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3326837 0.93 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3324560 0.93 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226457 0.91 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226367 0.88 P2RY12 (0.85) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3231399 0.88 P2RY12 (0.87) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226933 0.86 P2RY12 (0.81) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3234546 0.85 P2RY12 (0.83) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226279 0.85 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