SCHEMBL8351291

SCHEMBL8351291

C[C@@H](OCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.66
FAP Q12884 9/20 0.66
DPP7 Q9UHL4 8/20 0.66
DPP8 Q6V1X1 6/20 0.66
DPP9 Q86TI2 6/20 0.66

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
Hydrochloric Acid SCHEMBL5204316 0.99 DPP4 (0.64) DPP4FAPDPP7DPP8DPP9
SCHEMBL14364704 0.85 DPP4 (0.47) DPP4FAPDPP7DPP8DPP9
SCHEMBL14421527 0.83 DPP4 (0.68) DPP4FAPDPP7DPP8DPP9
SCHEMBL5206543 0.81 DPP4 (0.52) DPP4FAPDPP7DPP8DPP9
SCHEMBL5549926 0.78 DPP4 (0.80) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5205200 0.78 DPP4 (0.67) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3157260 0.77 DPP4 (0.79) DPP4FAPDPP7DPP8DPP9
SCHEMBL3791373 0.77 DPP4 (0.61) DPP4FAPDPP7DPP8DPP9
SCHEMBL1150129 0.77 DPP4 (0.61) DPP4FAPDPP7DPP8DPP9
SCHEMBL3788596 0.77 DPP4 (0.61) DPP4FAPDPP7DPP8DPP9

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-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed