SCHEMBL30874913

SCHEMBL30874913

NC(=O)C1CCCN1C(=O)Cn1nnc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.43
▸ HTR1A P08908 4/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL30874822 0.76 DPP4 (0.43) DPP4HTR1AHTR7SPHK2SPHK1
SCHEMBL30874932 0.75 DPP4 (0.45) DPP4HTR1AHTR7SPHK2SPHK1
SCHEMBL30874850 0.73 DPP4 (0.47) DPP4HTR1AHTR7KMT2AKDM4E
SCHEMBL30874815 0.73 DPP4 (0.45) DPP4HTR1AHTR7SPHK2SPHK1
SCHEMBL30874931 0.71 DPP4 (0.51) DPP4HTR1AHTR7SPHK2SPHK1
SCHEMBL30975227 0.70 DPP4 (0.48) DPP4HTR1AHTR7
SCHEMBL15856041 0.69 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL30874923 0.68 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL30874930 0.68 DPP4 (0.43) DPP4HTR1AHTR7PDK2
SCHEMBL30874951 0.67 DPP4 (0.43) DPP4HTR1AHTR7

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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