SCHEMBL5046848

SCHEMBL5046848

COc1ncc(Nc2cc(OC3CCN(C(=O)O)CC3)ncn2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.44
PIK3CD O00329 11/20 0.41
PIK3CA P42336 9/20 0.40
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ERBB2 P04626 1/20 0.37
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CDK6 Q00534 1/20 0.37

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
SCHEMBL385907 0.88 PIK3CD (0.51) GPR119PIK3CDPIK3CA
SCHEMBL391304 0.88 GPR119 (0.58) GPR119
SCHEMBL1830976 0.84 GPR119 (0.45) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4720958 0.84 GPR119 (0.46) GPR119PIK3CDCDK2FLT3CDK6
SCHEMBL4720662 0.84 PIK3CA (0.42) GPR119PIK3CDPIK3CAERBB2CDK2
SCHEMBL5048543 0.82 FLT3 (0.39) GPR119PIK3CDCDK2FLT3CDK6
SCHEMBL1070555 0.79 GPR119 (0.47) GPR119CDK2FLT3CDK6
SCHEMBL5048764 0.79 GPR119 (0.49) GPR119ERBB2CDK2FLT3CDK6
SCHEMBL392230 0.77 GPR119 (0.49) GPR119
SCHEMBL391329 0.76 GPR119 (0.49) 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-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