SCHEMBL30874954

SCHEMBL30874954

NC(=O)C1CCCN1C(=O)Cn1cnnn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ DPP4 P27487 8/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTR1A P08908 3/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ CFD P00746 2/20 0.37
▸ MEN1 O00255 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
SCHEMBL30874905 0.81 DPP4 (0.40) DPP4HTR1AHTR7CFD
SCHEMBL30874951 0.80 DPP4 (0.43) DPP4HTR1AHTR7
SCHEMBL30874829 0.78 GFER (0.45) KMT2ADPP4HTR1AHTR7CFD
SCHEMBL30874923 0.75 DPP4 (0.44) DPP4HTR1AHTR7CFD
SCHEMBL15856041 0.73 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL30874949 0.73 ALDH1A1 (0.44) DPP4ALDH1A1HTR1AHTR7
SCHEMBL30874926 0.73 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL6471923 0.73 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL4182356 0.73 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL30874932 0.73 DPP4 (0.45) DPP4HTR1AHTR7CFD

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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