SCHEMBL5229936

SCHEMBL5229936

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(F)C1CC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.71
DPP7 Q9UHL4 16/20 0.71
DPP9 Q86TI2 8/20 0.71
DPP8 Q6V1X1 9/20 0.61
CYP2D6 P10635 1/20 0.37
PREP P48147 1/20 0.37

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
SCHEMBL5229489 0.93 DPP4 (0.72) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL5227592 0.86 DPP4 (0.70) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL5225939 0.83 DPP4 (1.00) DPP4DPP7DPP9DPP8CYP2D6
Hydrochloric Acid SCHEMBL5237003 0.82 DPP4 (0.98) DPP4DPP7DPP9DPP8
SCHEMBL5229043 0.76 DPP4 (1.00) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL5228869 0.76 DPP4 (0.54) DPP4DPP7DPP9DPP8
SCHEMBL28711236 0.72 DPP4 (0.51) DPP4DPP7DPP9DPP8
SCHEMBL28710941 0.72 DPP4 (0.51) DPP4DPP7DPP9DPP8
SCHEMBL3608475 0.71 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL13501540 0.71 DPP4 (0.48) DPP4DPP9DPP8

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
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed