SCHEMBL8255180

SCHEMBL8255180

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCNC(=O)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP8 Q6V1X1 5/20 0.63
DPP7 Q9UHL4 5/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL30786697 0.95 DPP4 (0.55) DPP4DPP8DPP7KCNH2
SCHEMBL29196909 0.95 DPP4 (0.55) DPP4DPP8DPP7KCNH2
SCHEMBL5041276 0.82 DPP4 (0.66) DPP4DPP8DPP7KCNH2
SCHEMBL3776139 0.82 DPP4 (0.47) DPP4DPP8KCNH2
SCHEMBL3776140 0.82 DPP4 (0.47) DPP4DPP8KCNH2
SCHEMBL2860736 0.81 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL2860054 0.81 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL8245497 0.80 DPP4 (0.68) DPP4DPP8DPP7KCNH2
SCHEMBL13852630 0.80 DPP4 (0.68) DPP4DPP8DPP7KCNH2
SCHEMBL8245496 0.80 DPP4 (0.68) DPP4DPP8DPP7KCNH2

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-2006104997-A2 TARTARIC ACID SALTS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2006-10-05 WO disclosed