SCHEMBL2728781

SCHEMBL2728781

CCc1cnc(N2CCC(Oc3ncnc(Oc4ccccc4C4COS(=O)OC4)c3C)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.42
PIK3CD O00329 1/20 0.35

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
SCHEMBL2730166 0.90 GPR119 (0.45) GPR119
SCHEMBL3698464 0.86 GPR119 (0.43) GPR119
SCHEMBL2728784 0.86 GPR119 (0.43) GPR119
SCHEMBL3695702 0.86 GPR119 (0.43) GPR119
SCHEMBL2716658 0.83 SCN9A (0.46) GPR119
SCHEMBL3698226 0.82 GPR119 (0.42) GPR119
SCHEMBL2730645 0.82 GPR119 (0.42) GPR119
SCHEMBL3695863 0.82 GPR119 (0.42) GPR119
SCHEMBL2730168 0.76 GPR119 (0.41) GPR119PIK3CD
SCHEMBL3699548 0.76 GPR119 (0.41) GPR119PIK3CD

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-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP claimed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO claimed