SCHEMBL28710941

SCHEMBL28710941

C[C@@H]1c2cnc(C(F)(F)F)n2CCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP8 Q6V1X1 8/20 0.51
DPP7 Q9UHL4 7/20 0.44
DPP9 Q86TI2 3/20 0.42

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
SCHEMBL28711236 1.00 DPP4 (0.51) DPP4DPP8DPP7DPP9
SCHEMBL28698252 0.89 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL29040979 0.89 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL29040977 0.89 DPP4 (0.55) DPP4DPP8DPP7DPP9
SCHEMBL10161248 0.84 DPP4 (0.51) DPP4DPP8DPP7DPP9
SCHEMBL3105979 0.84 DPP4 (0.51) DPP4DPP8DPP7DPP9
SCHEMBL3105971 0.84 DPP4 (0.51) DPP4DPP8DPP7DPP9
SCHEMBL411591 0.83 DPP4 (0.54) DPP4DPP8DPP7DPP9
SCHEMBL2867515 0.83 DPP4 (0.54) DPP4DPP8DPP7DPP9
SCHEMBL21853403 0.82 DPP4 (0.74) DPP4DPP8DPP7DPP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115266973-B Method for separating and measuring related substances of DPP-IV inhibitor 盛世泰科生物医药技术(苏州)有限公司 2023-08-18 CN disclosed
CN-114057751-B Preparation method of DPP-IV inhibitor and key intermediate thereof 盛世泰科生物医药技术(苏州)有限公司 2022-04-12 CN disclosed
CN-114057751-A Preparation method of DPP-IV inhibitor and key intermediate thereof 盛世泰科生物医药技术(苏州)有限公司 2022-02-18 CN disclosed