SCHEMBL19729370

SCHEMBL19729370

Cc1cc(F)c(OC2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
PIK3CA P42336 3/20 0.43
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PDE4B Q07343 1/20 0.41
USP30 Q70CQ3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL19729367 0.89 PIK3CD (0.43) PIK3CDNPBWR1MCHR1GPR119PIK3CA
SCHEMBL19729369 0.83 GPR119 (0.41) PIK3CDNPBWR1MCHR1GPR119DPP4
SCHEMBL21341518 0.81 GPR119 (0.39) PIK3CDNPBWR1MCHR1GPR119PIK3CA
SCHEMBL19729447 0.79 SMN1; SMN2 (0.40) NPBWR1MCHR1GPR119PDE4BUSP30
SCHEMBL5970964 0.77 GPR119 (0.56) NPBWR1MCHR1GPR119PDE4BKDM4E
SCHEMBL2339564 0.76 STS (0.51) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL2339872 0.76 STS (0.51) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL15696667 0.76 GPR119 (0.49) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL22278273 0.76 GPR119 (0.52) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL22278188 0.76 GPR119 (0.52) PIK3CDGPR119PIK3CAPIK3CBPIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 WO disclosed