SCHEMBL8537010

SCHEMBL8537010

CC(C)(C)N1CCC(COc2ccc(N3CCc4cc(S(C)(=O)=O)ccc43)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.47
GPR119 Q8TDV5 18/20 0.46

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
SCHEMBL8514771 0.87 GPR119 (0.63) GPR119
SCHEMBL8514766 0.83 GPR119 (0.44) ROCK1GPR119
SCHEMBL8536569 0.76 GPR119 (0.53) ROCK1GPR119
SCHEMBL15253222 0.75 GPR119 (0.54) ROCK1GPR119
SCHEMBL8512911 0.74 GPR119 (0.64) GPR119
SCHEMBL8512257 0.74 GPR119 (0.75) GPR119
SCHEMBL15538366 0.74 GPR119 (0.49) GPR119
SCHEMBL8512909 0.72 GPR119 (0.50) ROCK1GPR119
SCHEMBL9247772 0.70 GPR119 (0.51) ROCK1GPR119
SCHEMBL8511798 0.69 GPR119 (0.51) ROCK1GPR119

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-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed