SCHEMBL30874930

SCHEMBL30874930

NC(=O)C1CCCN1C(=O)Cc1[nH]nnc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.43
▸ HTR1A P08908 10/20 0.38
▸ HTR7 P34969 10/20 0.38
▸ DPP9 Q86TI2 1/20 0.35
▸ PDK2 Q15119 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
SCHEMBL30874950 0.82 DPP4 (0.42) DPP4HTR1AHTR7DPP9
SCHEMBL30874921 0.81 CNR2 (0.34) DPP4
SCHEMBL30874924 0.77 HTR1A (0.39) DPP4HTR1AHTR7
SCHEMBL30874806 0.76 HTR1A (0.40) DPP4HTR1AHTR7
SCHEMBL30874828 0.74 DPP4 (0.40) DPP4HTR1AHTR7DPP9
SCHEMBL30341409 0.71 DPP4 (0.41) DPP4HTR1AHTR7DPP9
SCHEMBL30975227 0.70 DPP4 (0.48) DPP4HTR1AHTR7
SCHEMBL30874913 0.68 DPP4 (0.43) DPP4HTR1AHTR7PDK2
SCHEMBL30874862 0.66 CYP19A1 (0.47) DPP4HTR1AHTR7DPP9
SCHEMBL1493753 0.66 DPP4 (0.47) 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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