SCHEMBL8312244

SCHEMBL8312244

CC1c2nc(C(F)(F)F)n(C)c2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 15/20 1.00
DPP7 Q9UHL4 11/20 1.00
DPP9 Q86TI2 5/20 0.81

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
SCHEMBL8311489 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL8311484 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL8311997 0.78 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL5491159 0.77 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL21853403 0.77 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL10195795 0.77 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL5493867 0.76 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL5487908 0.76 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL3840704 0.76 DPP4 (0.91) DPP4DPP8DPP7DPP9
SCHEMBL8325448 0.76 DPP4 (1.00) DPP4DPP8DPP7DPP9

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