SCHEMBL30874873

SCHEMBL30874873

NC(=O)C1CCCN1C(=O)Cc1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.43
▸ DPP4 P27487 10/20 0.43
▸ HTR1A P08908 4/20 0.42
▸ HTR7 P34969 4/20 0.42
▸ DPP9 Q86TI2 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL13570397 0.84 DPP4 (0.49) VNN1DPP4HTR1AHTR7ACE
SCHEMBL30874840 0.84 DPP4 (0.49) VNN1DPP4HTR1AHTR7ACE
SCHEMBL30874862 0.82 CYP19A1 (0.47) VNN1DPP4HTR1AHTR7DPP9
SCHEMBL30874909 0.81 VNN1 (0.47) VNN1DPP4HTR1AHTR7DPP9
SCHEMBL16635512 0.80 POLB (0.46) VNN1
SCHEMBL30341550 0.78 DPP4 (0.46) VNN1DPP4HTR1AHTR7DPP9
SCHEMBL30874864 0.76 VNN1 (0.47) VNN1DPP4HTR1AHTR7DPP9
SCHEMBL30874914 0.75 DPP4 (0.44) DPP4HTR1AHTR7DPP9
SCHEMBL30874798 0.75 VNN1 (0.62) VNN1DPP4ACE
SCHEMBL30874935 0.73 DPP4 (0.41) VNN1DPP4HTR1AHTR7DPP9

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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