SCHEMBL29196909

SCHEMBL29196909

CC(C)(C)OC(=O)NC(CC(=O)N1CCNC(=O)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.55
▸ DPP8 Q6V1X1 2/20 0.55
▸ KCNH2 Q12809 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL30786697 1.00 DPP4 (0.55) DPP4DPP8KCNH2DPP7
SCHEMBL8255180 0.95 DPP4 (0.63) DPP4DPP8KCNH2DPP7
SCHEMBL2860054 0.85 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL2860736 0.85 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL3776140 0.84 DPP4 (0.47) DPP4DPP8KCNH2
SCHEMBL3776139 0.84 DPP4 (0.47) DPP4DPP8KCNH2
SCHEMBL3764856 0.81 DPP4 (0.48) DPP4DPP8
SCHEMBL12189888 0.80 DPP4 (0.60) DPP4DPP8KCNH2DPP7
SCHEMBL1509230 0.80 DPP4 (0.49) DPP4DPP8DPP7
SCHEMBL29196906 0.80 DPP4 (0.55) DPP4DPP8KCNH2DPP7

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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