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SCHEMBL5065342

SCHEMBL5065342

Cc1nc(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)c(C#N)cc1C(=O)OC(C)C.Cc1nc(N2CCC(C(=O)O)CC2)c(C#N)cc1C(=O)OC(C)C

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.80
▸ CYP2C9 P11712 7/20 0.80
▸ CYP3A4 P08684 5/20 0.80
▸ CHRM2 P08172 1/20 0.70
▸ DRD3 P35462 1/20 0.70

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
SCHEMBL4871611 0.97 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5067830 0.93 P2RY12 (0.73) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4878518 0.91 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4725585 0.91 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4877975 0.91 P2RY12 (0.77) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5063129 0.90 P2RY12 (0.66) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5066047 0.90 P2RY12 (0.69) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4871645 0.90 P2RY12 (0.77) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4871577 0.90 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4878793 0.89 P2RY12 (0.71) 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