SCHEMBL30874886

SCHEMBL30874886

CN(CC(=O)N1CCCC1C(N)=O)c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ DPP4 P27487 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 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
SCHEMBL30874805 0.80 PIK3CB (0.42) VNN1DPP4PIK3CAPIK3CDPIK3CB
SCHEMBL30874909 0.77 VNN1 (0.47) VNN1DPP4
SCHEMBL12784949 0.73 DPP4 (0.46) VNN1DPP4SMN1; SMN2
SCHEMBL25753684 0.71 POLB (0.46) POLBLMNATP53GAAHTT
SCHEMBL30874798 0.69 VNN1 (0.62) VNN1POLBDPP4
SCHEMBL30874862 0.68 CYP19A1 (0.47) VNN1DPP4SMN1; SMN2
SCHEMBL30874864 0.68 VNN1 (0.47) VNN1DPP4
SCHEMBL30874955 0.68 DPP4 (0.42) VNN1DPP4
SCHEMBL30874949 0.67 ALDH1A1 (0.44) VNN1DPP4
SCHEMBL30874948 0.67 DPP4 (0.44) VNN1DPP4

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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