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Sugi Predict / Compounds / SCHEMBL5012425

SCHEMBL5012425

SCHEMBL5012425

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nc1C.CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1C

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.83
▸ CYP2C9 P11712 7/20 0.83
▸ CYP3A4 P08684 5/20 0.83
▸ CHRM2 P08172 1/20 0.83
▸ DRD3 P35462 1/20 0.83

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
SCHEMBL4872633 0.97 P2RY12 (0.88) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5059406 0.94 P2RY12 (0.85) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5168771 0.93 P2RY12 (0.78) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5067830 0.92 P2RY12 (0.73) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4992648 0.92 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4877635 0.92 P2RY12 (0.92) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL29409602 0.91 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3216200 0.91 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL29409601 0.91 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4871555 0.91 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 — — EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed