SCHEMBL30874955

SCHEMBL30874955

Cn1cc(CC(=O)N2CCCC2C(N)=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.42
▸ DPP9 Q86TI2 1/20 0.41
▸ HTR1A P08908 10/20 0.40
▸ HTR7 P34969 10/20 0.40
▸ DHFR P00374 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ ACE P12821 1/20 0.39

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
SCHEMBL21696499 0.81 SMN1; SMN2 (0.38) —
SCHEMBL30874864 0.80 VNN1 (0.47) DPP4DPP9HTR1AHTR7DHFR
SCHEMBL30874813 0.79 DPP4 (0.42) DPP4DPP9HTR1AHTR7
SCHEMBL30874862 0.77 CYP19A1 (0.47) DPP4DPP9HTR1AHTR7DHFR
SCHEMBL22291794 0.77 POLB (0.52) —
SCHEMBL30874874 0.77 VNN1 (0.44) DPP4DPP9HTR1AHTR7DHFR
SCHEMBL474918 0.77 DPP4 (0.57) DPP4HTR1AHTR7ACE
SCHEMBL2177077 0.77 DPP4 (0.57) DPP4HTR1AHTR7ACE
SCHEMBL30874914 0.76 DPP4 (0.44) DPP4DPP9HTR1AHTR7
SCHEMBL30874974 0.76 DPP4 (0.44) DPP4DPP9HTR1AHTR7ACE

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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