SCHEMBL6444035

SCHEMBL6444035

N[C@@H](CC(=O)N1CCNC[C@H]1COCc1ccc(Cc2ccccc2)cc1)Cc1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
DPP7 Q9UHL4 8/20 0.61
DPP8 Q6V1X1 3/20 0.48
DPP9 Q86TI2 1/20 0.47

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
SCHEMBL27206277 0.85 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL27206278 0.85 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL5408217 0.85 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL30866218 0.85 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL4665021 0.83 DPP4 (0.72) DPP4DPP7DPP8DPP9
SCHEMBL8282472 0.78 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL8281186 0.74 DPP4 (0.50) DPP4DPP7DPP8DPP9
SCHEMBL6758476 0.74 DPP4 (0.80) DPP4DPP7
SCHEMBL875040 0.74 CA1 (0.46) DPP4
SCHEMBL20873266 0.74 CA1 (0.46) DPP4

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