SCHEMBL30874815

SCHEMBL30874815

NC(=O)C1CCCN1C(=O)Cn1nncc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.45
▸ GAA P10253 1/20 0.39
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ CFD P00746 3/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ VNN1 O95497 1/20 0.35

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
SCHEMBL30874926 0.82 DPP4 (0.44) DPP4GAAHTR1AHTR7
SCHEMBL30874822 0.78 DPP4 (0.43) DPP4GAAHTR1AHTR7PDK2
SCHEMBL30874931 0.75 DPP4 (0.51) DPP4HTR1AHTR7PDK2CFD
SCHEMBL30874932 0.74 DPP4 (0.45) DPP4GAAHTR1AHTR7PDK2
SCHEMBL30874913 0.73 DPP4 (0.43) DPP4GAAHTR1AHTR7PDK2
SCHEMBL30874850 0.72 DPP4 (0.47) DPP4GAAHTR1AHTR7CFD
SCHEMBL30874951 0.72 DPP4 (0.43) DPP4HTR1AHTR7
SCHEMBL30874954 0.70 KMT2A (0.45) DPP4HTR1AHTR7CFD
SCHEMBL30874905 0.70 DPP4 (0.40) DPP4HTR1AHTR7CFDVNN1
SCHEMBL30874943 0.70 DPP4 (0.44) DPP4HTR1AHTR7VNN1

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
Send feedback