SCHEMBL8316112

SCHEMBL8316112

N[C@@H](CC(=O)N1CCc2c(C(F)(F)F)n[nH]c2C1)Cc1cc(F)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 18/20 1.00
DPP8 Q6V1X1 16/20 1.00
DPP9 Q86TI2 9/20 1.00

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
SCHEMBL1072764 0.79 DPP4 (0.70) DPP4DPP7DPP8DPP9
SCHEMBL1072765 0.79 DPP4 (0.70) DPP4DPP7DPP8DPP9
SCHEMBL4390625 0.78 DPP4 (0.69) DPP4DPP7DPP8DPP9
SCHEMBL4397350 0.77 DPP4 (0.64) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5519545 0.77 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL4865994 0.77 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL8334481 0.76 DPP4 (0.71) DPP4DPP7DPP8DPP9
SCHEMBL4387262 0.75 DPP4 (0.66) DPP4DPP7DPP8DPP9
SCHEMBL3389459 0.75 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL1072790 0.75 DPP4 (0.67) DPP4DPP7DPP8DPP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO disclosed