SCHEMBL5230427

SCHEMBL5230427

CN(C)C(=O)CC1c2nc(C(F)(F)F)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.38
DPP7 Q9UHL4 12/20 0.38
DPP8 Q6V1X1 5/20 0.38
DPP9 Q86TI2 5/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5228676 0.86 DPP4 (0.41) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL14520437 0.84 DPP4 (0.39) DPP4DPP7DPP8DPP9
SCHEMBL5229332 0.83 DPP4 (0.46) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL5229207 0.83 DPP4 (0.53) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL13677340 0.82 DPP4 (0.38) DPP4DPP7DPP8DPP9
SCHEMBL5227629 0.80 DPP4 (0.37) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL5228855 0.80 DPP4 (0.49) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL13676979 0.78 DPP4 (0.38) DPP4DPP7DPP8DPP9
SCHEMBL5228044 0.77 TACR1 (0.39) DPP4DPP7DPP8DPP9MEN1
SCHEMBL5233907 0.74 DPP4 (0.54) DPP4DPP7DPP8DPP9ALDH1A1

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