SCHEMBL30874936

SCHEMBL30874936

NC(=O)C1CCCN1C(=O)Cc1nc(C(F)(F)F)co1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.44
▸ SPHK2 Q9NRA0 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.38
▸ HTR1A P08908 4/20 0.37
▸ HTR7 P34969 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PDK2 Q15119 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
SCHEMBL30874812 0.86 DPP4 (0.47) DPP4DPP9HTR1AHTR7NPC1
SCHEMBL30874836 0.81 CNR2 (0.37) DPP4DPP9PIK3CDPIK3CAPIK3CB
SCHEMBL30874935 0.77 DPP4 (0.41) DPP4DPP9HTR1AHTR7PIK3CD
SCHEMBL30874948 0.71 DPP4 (0.44) DPP4DPP9HTR1AHTR7NPC1
SCHEMBL26841880 0.71 TACR1 (0.41) —
SCHEMBL30874932 0.71 DPP4 (0.45) DPP4SPHK2SPHK1HTR1AHTR7
SCHEMBL30874850 0.71 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL30874847 0.70 DPP4 (0.47) DPP4DPP9HTR1AHTR7NPC1
SCHEMBL30874915 0.70 DPP4 (0.45) DPP4DPP9HTR1AHTR7
SCHEMBL30975227 0.69 DPP4 (0.48) DPP4HTR1AHTR7

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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