SCHEMBL28665124

SCHEMBL28665124

NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.55
DPP7 Q9UHL4 4/20 0.55
CYP3A4 P08684 5/20 0.51
DPP9 Q86TI2 5/20 0.49
DPP8 Q6V1X1 4/20 0.49
KCNH2 Q12809 1/20 0.49
FAP Q12884 1/20 0.49

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
SCHEMBL28181301 1.00 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL743047 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL29441819 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL29441821 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL572053 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL28257067 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL28257065 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL743022 0.86 DPP4 (0.55) DPP4DPP7CYP3A4DPP9DPP8
SCHEMBL13780809 0.84 DPP4 (0.58) DPP4DPP7CYP3A4DPP8
Hydrochloric Acid SCHEMBL28963555 0.84 DPP4 (0.56) DPP4DPP7CYP3A4DPP9DPP8

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-113846131-A Method for preparing (R) -3-amino-4- (2,4, 5-trifluorophenyl) -butyric acid 尚科生物医药(上海)有限公司 2021-12-28 CN disclosed