SCHEMBL1128430

SCHEMBL1128430

CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OCC(CF)(CF)CF)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.74
GPR119 Q8TDV5 16/20 0.54
CYP2C9 P11712 1/20 0.51

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
SCHEMBL1128736 0.92 CYP3A4 (0.77) CYP3A4GPR119CYP2C9
SCHEMBL1128402 0.91 CYP3A4 (0.80) CYP3A4GPR119CYP2C9
SCHEMBL1128580 0.91 CYP3A4 (0.77) CYP3A4GPR119CYP2C9
SCHEMBL1128328 0.89 CYP3A4 (0.80) CYP3A4GPR119CYP2C9
SCHEMBL1128152 0.87 CYP3A4 (0.74) CYP3A4GPR119CYP2C9
SCHEMBL1128433 0.87 CYP3A4 (0.76) CYP3A4GPR119CYP2C9
SCHEMBL1128844 0.87 CYP3A4 (0.84) CYP3A4GPR119CYP2C9
SCHEMBL4355564 0.86 CYP3A4 (0.74) CYP3A4GPR119CYP2C9
SCHEMBL1128644 0.85 CYP3A4 (1.00) CYP3A4GPR119CYP2C9
SCHEMBL1128898 0.85 CYP3A4 (0.86) CYP3A4GPR119CYP2C9

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-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed