SCHEMBL30874822

SCHEMBL30874822

NC(=O)C1CCCN1C(=O)Cn1nnnc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.43
▸ GAA P10253 1/20 0.37
▸ HTR1A P08908 4/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ CFD P00746 2/20 0.34
▸ SPHK2 Q9NRA0 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL30874815 0.78 DPP4 (0.45) DPP4GAAHTR1AHTR7PDK2
SCHEMBL30874913 0.76 DPP4 (0.43) DPP4GAAHTR1AHTR7SCN9A
SCHEMBL30874932 0.75 DPP4 (0.45) DPP4GAAHTR1AHTR7PDK2
SCHEMBL30874931 0.71 DPP4 (0.51) DPP4HTR1AHTR7SCN9APDK2
SCHEMBL30874926 0.71 DPP4 (0.44) DPP4GAAHTR1AHTR7
SCHEMBL30874850 0.71 DPP4 (0.47) DPP4GAAHTR1AHTR7CFD
SCHEMBL30975227 0.70 DPP4 (0.48) DPP4HTR1AHTR7
SCHEMBL15856041 0.69 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL30874954 0.69 KMT2A (0.45) DPP4HTR1AHTR7CFD
SCHEMBL30874923 0.68 DPP4 (0.44) 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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