SCHEMBL6862728

SCHEMBL6862728

CC(C)(SCCc1ccccc1)C(N)C(=O)N1CC(F)CC1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 7/20 1.00
FAP Q12884 11/20 0.91
DPP8 Q6V1X1 1/20 0.63
DPP9 Q86TI2 1/20 0.63

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
SCHEMBL3158067 1.00 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL3151325 0.99 DPP4 (0.98) DPP4DPP7FAPDPP8DPP9
SCHEMBL3158063 0.95 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL3163709 0.94 DPP4 (0.98) DPP4DPP7FAPDPP8DPP9
SCHEMBL13525296 0.87 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
SCHEMBL3156902 0.87 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL3159133 0.86 DPP4 (0.98) DPP4DPP7FAPDPP8DPP9
SCHEMBL3160279 0.86 DPP4 (0.75) DPP4DPP7FAPDPP8DPP9
SCHEMBL3159096 0.83 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
SCHEMBL3157261 0.83 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9

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
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed