SCHEMBL28055243

SCHEMBL28055243

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.49
SLC1A1 P43005 3/20 0.37
KCNH2 Q12809 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC7A5 Q01650 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
CYP3A4 P08684 2/20 0.35
DPP9 Q86TI2 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 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
SCHEMBL27899116 1.00 DPP4 (0.49) DPP4SLC1A1KCNH2SLC1A3SLC1A2
SCHEMBL11221173 1.00 DPP4 (0.49) DPP4SLC1A1KCNH2SLC1A3SLC1A2
SCHEMBL6032240 0.89 DPP4 (0.39) DPP4SLC1A1SLC1A3SLC1A2SLC7A5
SCHEMBL27670609 0.83 CTSS (0.47) SLC1A1SLC1A3SLC1A2SLC7A5
SCHEMBL21924972 0.83 DPP4 (0.50) DPP4KCNH2SLC7A5DPP7DPP8
SCHEMBL3453798 0.83 DPP4 (0.50) DPP4KCNH2SLC7A5DPP7DPP8
SCHEMBL27899115 0.81 DPP4 (0.46) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL29580049 0.79 DPP4 (0.45) DPP4SLC1A1SLC1A3SLC1A2DPP7
SCHEMBL28937623 0.79 DPP4 (0.45) DPP4SLC1A1SLC1A3SLC1A2DPP7
SCHEMBL17513199 0.77 SLC1A1 (0.48) SLC1A1SLC1A3SLC1A2SLC7A5

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-105294479-A Preparation method of 3R-amino substituted butyrylamide derivative XINFA PHARMACEUTICAL CO LTD 2016-02-03 CN disclosed