SCHEMBL5228855

SCHEMBL5228855

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.49
DPP7 Q9UHL4 12/20 0.49
DPP9 Q86TI2 5/20 0.36
DPP8 Q6V1X1 4/20 0.36
ALDH1A1 P00352 1/20 0.35
MAP4K4 O95819 1/20 0.34
TSHR P16473 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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 0.84 DPP4 (0.41) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL14970399 0.83 DPP4 (0.56) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5229207 0.82 DPP4 (0.53) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5233907 0.81 DPP4 (0.54) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5228869 0.81 DPP4 (0.54) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5230427 0.80 DPP4 (0.38) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5229332 0.80 DPP4 (0.46) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL15492434 0.80 DPP4 (0.59) DPP4DPP7DPP9DPP8LRRK2
SCHEMBL5227629 0.79 DPP4 (0.37) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5228044 0.75 TACR1 (0.39) DPP4DPP7DPP9DPP8

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