SCHEMBL8325448

SCHEMBL8325448

CC1c2nnc(C(F)(F)F)n2C(C)CN1C(=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 10/20 1.00
DPP9 Q86TI2 6/20 1.00
DPP7 Q9UHL4 8/20 0.66

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
SCHEMBL5493867 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL5487908 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL5491159 0.84 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL3840704 0.83 DPP4 (0.91) DPP4DPP8DPP9DPP7
SCHEMBL5935902 0.82 DPP4 (0.70) DPP4DPP8DPP9DPP7
SCHEMBL5935905 0.82 DPP4 (0.70) DPP4DPP8DPP9DPP7
SCHEMBL15978603 0.82 DPP4 (0.70) DPP4DPP8DPP9DPP7
SCHEMBL15978615 0.82 DPP4 (0.70) DPP4DPP8DPP9DPP7
SCHEMBL5497640 0.82 DPP4 (0.74) DPP4DPP8DPP9DPP7
SCHEMBL5491372 0.81 DPP4 (0.69) DPP4DPP8DPP9DPP7

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-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 WO disclosed