SCHEMBL13282124

SCHEMBL13282124

Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1N1C2COCC1CC(c1nc(C(C)C)no1)C2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.58
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL13282087 0.80 GPR119 (0.54) GPR119CYP2C9
SCHEMBL4355567 0.75 GPR119 (0.52) GPR119CYP2C9CYP3A4CYP2C19
SCHEMBL1128552 0.75 GPR119 (0.52) GPR119CYP2C9CYP3A4CYP2C19
SCHEMBL1128505 0.75 GPR119 (0.52) GPR119CYP2C9CYP3A4CYP2C19
SCHEMBL13282198 0.73 GPR119 (0.35) GPR119CYP3A4CYP2C19
SCHEMBL388432 0.73 GPR119 (0.69) GPR119CYP2C9CYP3A4CYP2C19
SCHEMBL13282085 0.72 GPR119 (0.62) GPR119CYP3A4CYP2C19
SCHEMBL16281420 0.72 GPR119 (0.64) GPR119CYP3A4CYP2C19
SCHEMBL4459757 0.71 GPR119 (0.46) GPR119CYP2C9CYP3A4CYP2C19
SCHEMBL4454207 0.71 GPR119 (0.46) GPR119CYP2C9CYP3A4CYP2C19

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-2010075273-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-07-01 WO disclosed