SCHEMBL6447159

SCHEMBL6447159

CC(C)(C)OC(=O)N[C@@H](CCN1CCC[C@H]1CNS(=O)(=O)c1ccccc1)Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 8/20 0.43
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
ATM Q13315 1/20 0.39

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
SCHEMBL6444466 0.91 DPP4 (0.48) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL6442890 0.90 DPP4 (0.47) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL4952155 0.87 DPP4 (0.69) DPP4DPP8DPP9DPP7
SCHEMBL4913743 0.87 DPP4 (0.53) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL14282783 0.87 DPP4 (0.69) DPP4DPP8DPP9DPP7
SCHEMBL4913729 0.87 DPP4 (0.53) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL4663388 0.85 DPP4 (0.67) DPP4SCN9ACTSKCTSLCTSS
SCHEMBL4663297 0.85 DPP4 (0.52) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL6444465 0.80 SCN9A (0.44) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL6445146 0.79 DPP4 (0.69) DPP4DPP8DPP9DPP7L3MBTL1

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
EP-1604662-A1 1-[(3R)-Amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP disclosed