SCHEMBL30874867

SCHEMBL30874867

Cc1cc(CC(=O)N2CCCC2C(N)=O)c[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.42
▸ DPP9 Q86TI2 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HTR1A P08908 6/20 0.38
▸ HTR7 P34969 6/20 0.38
▸ ACE P12821 1/20 0.37
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 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
SCHEMBL30874851 0.80 DPP4 (0.43) DPP4HTR1AHTR7ACESPHK2
SCHEMBL13570448 0.75 POLB (0.58) DPP4DPP9HTR1AHTR7ACE
SCHEMBL474918 0.73 DPP4 (0.57) DPP4HTR1AHTR7ACESPHK2
SCHEMBL2177077 0.73 DPP4 (0.57) DPP4HTR1AHTR7ACESPHK2
SCHEMBL30874919 0.71 DPP4 (0.45) DPP4HTR1AHTR7ACE
SCHEMBL30874864 0.71 VNN1 (0.47) DPP4DPP9HTR1AHTR7ACE
SCHEMBL30874862 0.71 CYP19A1 (0.47) DPP4DPP9HTR1AHTR7ACE
SCHEMBL30874955 0.71 DPP4 (0.42) DPP4DPP9HTR1AHTR7ACE
SCHEMBL30874856 0.71 DPP4 (0.39) DPP4DPP9HTR1AHTR7
SCHEMBL13570735 0.70 SPHK1 (0.53) DPP4PARP1HTR1AHTR7SPHK2

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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