SCHEMBL30874931

SCHEMBL30874931

NC(=O)C1CCCN1C(=O)Cn1cc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.51
▸ CFD P00746 1/20 0.46
▸ SPHK2 Q9NRA0 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ HTR1A P08908 3/20 0.39
▸ HTR7 P34969 3/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ CHRM3 P20309 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
SCHEMBL30874932 0.80 DPP4 (0.45) DPP4CFDSPHK2SPHK1HTR1A
SCHEMBL30874850 0.78 DPP4 (0.47) DPP4CFDHTR1AHTR7
SCHEMBL30874815 0.75 DPP4 (0.45) DPP4CFDSPHK2SPHK1HTR1A
SCHEMBL30874829 0.74 GFER (0.45) DPP4CFDHTR1AHTR7
SCHEMBL30874923 0.73 DPP4 (0.44) DPP4CFDHTR1AHTR7
SCHEMBL12986210 0.73 PDK2 (0.45) PDK2
SCHEMBL31710554 0.71 DPP4 (0.59) DPP4SPHK2SPHK1SCN9AFPR2
SCHEMBL30874822 0.71 DPP4 (0.43) DPP4CFDSPHK2SPHK1HTR1A
SCHEMBL30874913 0.71 DPP4 (0.43) DPP4SPHK2SPHK1HTR1AHTR7
SCHEMBL30874905 0.71 DPP4 (0.40) DPP4CFDHTR1AHTR7

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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