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Sugi Predict / Compounds / SCHEMBL4009730

SCHEMBL4009730

SCHEMBL4009730

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3cccc(F)c3)CC2)nc1C(F)F.CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3F)CC2)nc1C(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.68
▸ CYP2C9 P11712 6/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ CHRM2 P08172 1/20 0.66
▸ DRD3 P35462 1/20 0.66
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL3594045 0.95 P2RY12 (0.71) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3592183 0.94 P2RY12 (0.71) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4557311 0.90 P2RY12 (0.72) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3587825 0.90 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3589753 0.89 P2RY12 (0.68) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3588736 0.89 P2RY12 (0.82) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3590296 0.89 P2RY12 (0.71) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3588481 0.89 P2RY12 (0.69) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3587896 0.88 P2RY12 (0.71) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3591320 0.88 P2RY12 (0.70) 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-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 — — EP claimed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 — — WO claimed