SCHEMBL8358378

SCHEMBL8358378

CC(=O)OC(C)OC(=O)N[C@@H](CCC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.59
DPP8 Q6V1X1 16/20 0.59
DPP7 Q9UHL4 9/20 0.59
FAP Q12884 1/20 0.47
PREP P48147 2/20 0.46

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
SCHEMBL6619100 0.82 DPP4 (0.40) DPP4DPP8DPP7PREP
SCHEMBL6100333 0.82 DPP4 (0.40) DPP4DPP8DPP7PREP
SCHEMBL3554529 0.78 DPP4 (0.64) DPP4DPP8DPP7FAPPREP
SCHEMBL8276480 0.77 DPP4 (0.73) DPP4DPP8DPP7FAP
SCHEMBL5649172 0.76 DPP4 (0.47) DPP4DPP8PREP
SCHEMBL13463791 0.76 DPP4 (0.74) DPP4DPP8DPP7FAP
SCHEMBL14602200 0.74 DPP4 (0.45) DPP4DPP8DPP7FAPPREP
SCHEMBL14523911 0.73 DPP4 (1.00) DPP4DPP8DPP7FAP
SCHEMBL5646216 0.73 DPP4 (0.44) DPP4DPP8DPP7FAPPREP
SCHEMBL3555832 0.72 DPP4 (1.00) DPP4DPP8DPP7FAP

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
WO-2003035067-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) INHIBITORS AS ANTI-DIABETIC AGENTS FERRING B.V. (NL) 2003-05-01 WO disclosed