SCHEMBL29619666

SCHEMBL29619666

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.49
DPP9 Q86TI2 1/20 0.39
KCNH2 Q12809 2/20 0.39
RORC P51449 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL29619675 0.87 DPP4 (0.50) DPP4DPP9KCNH2DPP7
SCHEMBL1644938 0.81 PTGS2 (0.34) DPP4DPP9RORC
SCHEMBL1644939 0.81 PTGS2 (0.34) DPP4DPP9RORC
SCHEMBL29619670 0.81 DPP4 (0.49) DPP4DPP9DPP7
SCHEMBL332351 0.76 ALDH1A1 (0.46) DPP4DPP9KCNH2
SCHEMBL28973626 0.74 DPP4 (0.42) DPP4DPP9KCNH2
SCHEMBL1644943 0.73 DPP4 (0.51) DPP4DPP9DPP7
SCHEMBL3992304 0.73 DPP4 (0.51) DPP4DPP9DPP7
SCHEMBL3985105 0.73 DPP4 (0.51) DPP4DPP9DPP7
SCHEMBL25663565 0.73 DPP4 (0.51) DPP4DPP9DPP7

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