SCHEMBL15034941

SCHEMBL15034941

C[S+]([O-])Cc1ccc(-c2cc3c(cn2)OC(C2CCN(C(=O)OC(C)(C)C)CC2)C3)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.46
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39

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
SCHEMBL15034727 0.89 GPR119 (0.47) GPR119
SCHEMBL9974237 0.87 GPR119 (0.50) GPR119ALOX5APFEN1
SCHEMBL9974238 0.87 GPR119 (0.50) GPR119ALOX5APFEN1
SCHEMBL9974228 0.87 GPR119 (0.50) GPR119ALOX5APFEN1
SCHEMBL15035130 0.86 GPR119 (0.38) GPR119
SCHEMBL9974211 0.85 GPR119 (0.51) GPR119ALOX5APFEN1
SCHEMBL9974225 0.84 GPR119 (0.64) GPR119
SCHEMBL9936672 0.84 GPR119 (0.54) GPR119ALOX5APFEN1
SCHEMBL9936223 0.83 GPR119 (0.64) GPR119ALOX5APFEN1
SCHEMBL14244693 0.83 GPR119 (0.64) GPR119ALOX5APFEN1

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-2013083775-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed