SCHEMBL8334470

SCHEMBL8334470

CO[n+]1ccccc1C[C@@H]1C(=O)NCCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.71
▸ DPP8 Q6V1X1 8/20 0.71
▸ DPP7 Q9UHL4 7/20 0.71
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL5037120 0.88 DPP4 (0.75) DPP4DPP8DPP7KCNH2
SCHEMBL14278758 0.84 DPP4 (0.75) DPP4DPP8DPP7KCNH2
SCHEMBL5036584 0.80 DPP4 (0.80) DPP4DPP8DPP7KCNH2
SCHEMBL5036582 0.80 DPP4 (0.80) DPP4DPP8DPP7KCNH2
SCHEMBL5132150 0.79 DPP4 (0.77) DPP4DPP8DPP7KCNH2
SCHEMBL14278852 0.79 DPP4 (0.77) DPP4DPP8DPP7KCNH2
Hydrochloric Acid SCHEMBL5037269 0.78 DPP4 (0.76) DPP4DPP8DPP7KCNH2
SCHEMBL21067975 0.77 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL388929 0.77 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL21067640 0.77 DPP4 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 — — EP disclosed
WO-2004037169-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-06 — — WO disclosed
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