SCHEMBL5046463

SCHEMBL5046463

COc1c(Nc2cnc(S(C)(=O)=O)cc2C)ncnc1OC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.55
CYP2C9 P11712 3/20 0.49
KCNH2 Q12809 1/20 0.49
PIK3CA P42336 1/20 0.36

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
SCHEMBL2372594 0.85 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL5050653 0.82 GPR119 (0.39) GPR119CYP2C9KCNH2
SCHEMBL389167 0.81 GPR119 (0.84) GPR119CYP2C9KCNH2
SCHEMBL16384785 0.74 GPR119 (0.51) GPR119CYP2C9KCNH2
SCHEMBL5140723 0.74 GPR119 (0.51) GPR119CYP2C9KCNH2
SCHEMBL14357664 0.74 GPR119 (0.55) GPR119CYP2C9KCNH2
SCHEMBL5824241 0.73 EGFR (0.47) GPR119CYP2C9KCNH2
SCHEMBL5140547 0.70 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL5052027 0.70 GPR119 (0.38) GPR119CYP2C9KCNH2PIK3CA
SCHEMBL6065686 0.69 GPR119 (0.46) GPR119CYP2C9

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-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed