SCHEMBL29197294

SCHEMBL29197294

NC(=O)O[C@@H](CC(=O)N1CCNC(S)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.45
▸ DPP8 Q6V1X1 1/20 0.42
▸ CYP3A4 P08684 6/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL29196896 0.85 DPP4 (0.40) DPP4DPP8DPP7
SCHEMBL29196907 0.80 DPP4 (0.63) DPP4DPP8CYP3A4DPP7
SCHEMBL29196905 0.80 DPP4 (0.63) DPP4DPP8CYP3A4DPP7
SCHEMBL29196926 0.73 DPP4 (0.36) DPP4DPP8DPP7
SCHEMBL29196904 0.73 DPP4 (0.36) DPP4DPP8DPP7
SCHEMBL21985109 0.67 DPP4 (0.88) DPP4DPP8CYP3A4DPP7
SCHEMBL21985110 0.67 DPP4 (0.88) DPP4DPP8CYP3A4DPP7
SCHEMBL29196906 0.65 DPP4 (0.55) DPP4DPP8CYP3A4DPP7
SCHEMBL29196918 0.62 DPP4 (0.87) DPP4DPP8DPP7
SCHEMBL29196920 0.62 DPP4 (0.87) DPP4DPP8DPP7

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-117720540-A Sitagliptin intermediate and preparation method of sitagliptin 宜昌东阳光制药有限公司 2024-03-19 — — CN disclosed
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