SCHEMBL30874836

SCHEMBL30874836

NC(=O)C1CC(F)CN1C(=O)Cc1nc(C(F)(F)F)co1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.37
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ DPP4 P27487 7/20 0.35
▸ DPP8 Q6V1X1 4/20 0.35
▸ DPP7 Q9UHL4 4/20 0.35
▸ CFD P00746 4/20 0.34
▸ DPP9 Q86TI2 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL30874875 0.87 CNR2 (0.39) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30874936 0.81 DPP4 (0.44) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30874910 0.79 CNR2 (0.39) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30341530 0.77 DPP4 (0.46) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30874917 0.74 CNR2 (0.41) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30874921 0.70 CNR2 (0.34) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12757999 0.68 PIN1 (0.40) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1493709 0.68 PIN1 (0.40) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30874959 0.68 CNR2 (0.37) CNR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3725157 0.66 PIN1 (0.40) CNR2PIK3CAPIK3CDPIK3CBPIK3CG

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
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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