SCHEMBL4805377

SCHEMBL4805377

N[C@@H](CC(=O)N1CCC[C@H]1c1nc(C2CCC2)no1)CN1CC(F)(F)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.55
DPP8 Q6V1X1 18/20 0.55
DPP9 Q86TI2 18/20 0.55
DPP7 Q9UHL4 18/20 0.55
PREP P48147 10/20 0.55

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
SCHEMBL4785460 0.98 DPP4 (0.55) DPP4DPP8DPP9DPP7PREP
SCHEMBL4785453 0.98 DPP4 (0.55) DPP4DPP8DPP9DPP7PREP
SCHEMBL4785190 0.98 DPP4 (0.52) DPP4DPP8DPP9DPP7PREP
SCHEMBL4785185 0.98 DPP4 (0.52) DPP4DPP8DPP9DPP7PREP
SCHEMBL4786347 0.97 DPP4 (0.57) DPP4DPP8DPP9DPP7PREP
SCHEMBL4786340 0.97 DPP4 (0.57) DPP4DPP8DPP9DPP7PREP
SCHEMBL4783466 0.91 DPP4 (0.57) DPP4DPP8DPP9DPP7PREP
SCHEMBL4783473 0.91 DPP4 (0.57) DPP4DPP8DPP9DPP7PREP
SCHEMBL4784396 0.87 DPP4 (0.44) DPP4DPP8DPP9DPP7PREP
SCHEMBL8194122 0.86 DPP4 (0.42) DPP4DPP8DPP9DPP7PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed