SCHEMBL29619675

SCHEMBL29619675

CC(C)COC(=O)[C@H](c1cc(F)c(F)cc1F)C(N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.50
DPP7 Q9UHL4 2/20 0.34
KCNH2 Q12809 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 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
SCHEMBL29619666 0.87 DPP4 (0.49) DPP4DPP7KCNH2DPP9
SCHEMBL29619670 0.79 DPP4 (0.49) DPP4DPP7DPP8DPP9
SCHEMBL28261299 0.75 DPP4 (0.47) DPP4DPP7FAPDPP8DPP9
SCHEMBL1644939 0.71 PTGS2 (0.34) DPP4DPP9
SCHEMBL1644938 0.71 PTGS2 (0.34) DPP4DPP9
SCHEMBL28680670 0.70 DPP4 (0.55) DPP4DPP7FAPDPP8DPP9
SCHEMBL743075 0.70 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL28183038 0.69 DPP4 (0.45) DPP4DPP7FAPDPP8DPP9
SCHEMBL31225236 0.68 DPP4 (0.49) DPP4DPP7FAPDPP8DPP9
SCHEMBL13005317 0.67 DPP4 (0.56) DPP4DPP7FAPDPP8DPP9

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
WO-2022088528-A1 TRANSAMINASE MUTANT AND USE THEREOF IN PREPARATION OF SITAGLIPTIN INTERMEDIATE 浙江永太科技股份有限公司 2022-05-05 WO disclosed