SCHEMBL30874805

SCHEMBL30874805

Cc1nccc(N(C)CC(=O)N2CCCC2C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 10/20 0.42
▸ PIK3CA P42336 10/20 0.42
▸ PIK3CD O00329 9/20 0.42
▸ PIK3CG P48736 7/20 0.42
▸ DPP4 P27487 7/20 0.42
▸ DPP9 Q86TI2 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ GAK O14976 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PI4KB Q9UBF8 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
SCHEMBL30874886 0.80 VNN1 (0.43) PIK3CBPIK3CAPIK3CDPIK3CGDPP4
SCHEMBL30874799 0.77 DPP4 (0.45) PIK3CBPIK3CAPIK3CDPIK3CGDPP4
SCHEMBL24666600 0.70 HRH3 (0.39) —
SCHEMBL30341487 0.70 HRH3 (0.39) —
SCHEMBL30874846 0.68 DPP4 (0.47) DPP4DPP9
SCHEMBL30874862 0.66 CYP19A1 (0.47) DPP4DPP9VNN1
SCHEMBL13570397 0.66 DPP4 (0.49) DPP4VNN1
SCHEMBL20811691 0.66 CNR2 (0.47) PIK3CBPIK3CAPIK3CDPIK3CGDPP4
SCHEMBL30874935 0.66 DPP4 (0.41) PIK3CBPIK3CAPIK3CDDPP4DPP9
SCHEMBL30874840 0.66 DPP4 (0.49) DPP4VNN1

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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