SCHEMBL30874909

SCHEMBL30874909

NC(=O)C1CCCN1C(=O)Cc1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.47
▸ DPP4 P27487 9/20 0.41
▸ DHFR P00374 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 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 0.82 DPP4 (0.49) VNN1DPP4HTR1AHTR7
SCHEMBL30874840 0.82 DPP4 (0.49) VNN1DPP4HTR1AHTR7
SCHEMBL30874873 0.81 VNN1 (0.43) VNN1DPP4DHFRDPP9CNR2
SCHEMBL30874798 0.79 VNN1 (0.62) VNN1DPP4
SCHEMBL30874862 0.77 CYP19A1 (0.47) VNN1DPP4DHFRDPP9HTR1A
SCHEMBL30874864 0.77 VNN1 (0.47) VNN1DPP4DHFRDPP9HTR1A
SCHEMBL12784949 0.77 DPP4 (0.46) VNN1DPP4DPP9
SCHEMBL30874886 0.77 VNN1 (0.43) VNN1DPP4
SCHEMBL30874856 0.77 DPP4 (0.39) VNN1DPP4DHFRDPP9CNR2
SCHEMBL30341550 0.76 DPP4 (0.46) VNN1DPP4DPP9HTR1AHTR7

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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