SCHEMBL8299374

SCHEMBL8299374

C=C(CNCC(=O)N1CCC[C@H]1CO)N1CCC[C@H]1C#N

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52

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
SCHEMBL4412510 0.92 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL4414229 0.92 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL4414222 0.92 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL4412513 0.92 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL4412505 0.92 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL4411662 0.90 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL8299923 0.90 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL4411667 0.90 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL4411660 0.90 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL4419343 0.82 DPP4 (0.82) DPP4DPP8DPP9

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-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 WO disclosed