SCHEMBL8311489

SCHEMBL8311489

Cn1c(C(F)(F)F)nc2c1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2Cc1ccc(F)cc1

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 19/20 1.00
DPP7 Q9UHL4 19/20 1.00
DPP9 Q86TI2 8/20 0.79

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
SCHEMBL8311484 0.94 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL14422245 0.90 DPP4 (0.81) DPP4DPP8DPP7DPP9
SCHEMBL8312244 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL4565776 0.75 DPP4 (0.68) DPP4DPP8DPP7DPP9
SCHEMBL5998755 0.75 DPP4 (0.68) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL4401263 0.74 DPP4 (0.68) DPP4DPP8DPP7DPP9
SCHEMBL5489303 0.70 DPP4 (0.73) DPP4DPP8DPP7DPP9
SCHEMBL14350042 0.69 DPP4 (1.00) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL5037199 0.69 DPP4 (0.72) DPP4DPP8DPP7DPP9
SCHEMBL5487908 0.68 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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