SCHEMBL2717368

SCHEMBL2717368

CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CN(C(=O)O)C2)ncn1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.72
ROCK1 Q13464 1/20 0.48

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
SCHEMBL299959 0.92 GPR119 (0.80) GPR119
SCHEMBL1066686 0.89 GPR119 (0.68) GPR119
SCHEMBL298602 0.88 GPR119 (0.62) GPR119ROCK1
SCHEMBL298603 0.88 GPR119 (0.62) GPR119ROCK1
SCHEMBL515140 0.85 GPR119 (0.76) GPR119ROCK1
SCHEMBL515139 0.85 GPR119 (0.79) GPR119
SCHEMBL288283 0.85 GPR119 (0.64) GPR119ROCK1
SCHEMBL17091631 0.85 GPR119 (0.64) GPR119ROCK1
SCHEMBL17091632 0.85 GPR119 (0.64) GPR119ROCK1
SCHEMBL3238465 0.85 GPR119 (0.77) GPR119

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-2445901-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
WO-2010149685-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed