SCHEMBL8311997

SCHEMBL8311997

CC1c2nccnc2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP8 Q6V1X1 16/20 0.63
DPP7 Q9UHL4 15/20 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
SCHEMBL4863820 0.88 DPP4 (0.64) DPP4DPP8DPP7
SCHEMBL14159518 0.85 DPP4 (0.60) DPP4DPP8DPP7
SCHEMBL4866220 0.82 DPP4 (0.60) DPP4DPP8DPP7
SCHEMBL8312244 0.78 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL1846959 0.76 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL21067640 0.76 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL1394444 0.76 DPP4 (1.00) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL5043367 0.75 DPP4 (0.98) DPP4DPP8DPP7
SCHEMBL10195795 0.74 DPP4 (0.74) DPP4DPP8DPP7
SCHEMBL21853403 0.74 DPP4 (0.74) DPP4DPP8DPP7

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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 WO disclosed