SCHEMBL5227592

SCHEMBL5227592

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.70
DPP7 Q9UHL4 19/20 0.70
DPP8 Q6V1X1 11/20 0.70
DPP9 Q86TI2 9/20 0.70
CYP2D6 P10635 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL5229489 0.86 DPP4 (0.72) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL5229936 0.86 DPP4 (0.71) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL5227446 0.83 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL5229207 0.75 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL14431703 0.73 DPP4 (0.75) DPP4DPP7DPP8DPP9
SCHEMBL28711236 0.72 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL28710941 0.72 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL5227962 0.72 DPP4 (0.80) DPP4DPP7DPP8DPP9
SCHEMBL3613708 0.72 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL13501540 0.72 DPP4 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed
EP-1554280-A4 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2006-07-05 EP disclosed
EP-1554280-A2 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS Merck & Co., Inc. (US) 2005-07-20 EP disclosed
WO-2004032836-A2 ANTIDIABETIC BETA-AMINO HETEROCYLCIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed