SCHEMBL8325488

SCHEMBL8325488

Nc1cn2c(n1)CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.70
▸ DPP8 Q6V1X1 10/20 0.68
▸ DPP7 Q9UHL4 4/20 0.62
▸ DPP9 Q86TI2 3/20 0.61
▸ ACE P12821 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ FAP Q12884 1/20 0.61

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
SCHEMBL12767539 0.89 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
SCHEMBL8243586 0.88 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL1071529 0.87 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL10258166 0.85 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL5497175 0.84 DPP4 (0.63) DPP4DPP8DPP7DPP9ACE
SCHEMBL5495348 0.83 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL8336562 0.83 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL20781026 0.82 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
SCHEMBL1509241 0.82 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL3389526 0.82 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE

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
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