SCHEMBL5229207

SCHEMBL5229207

CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.53
DPP7 Q9UHL4 12/20 0.53
DPP9 Q86TI2 5/20 0.53
DPP8 Q6V1X1 4/20 0.53
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE8B O95263 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 0.88 DPP4 (0.41) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5230427 0.83 DPP4 (0.38) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5229332 0.83 DPP4 (0.46) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5227629 0.82 DPP4 (0.37) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5228855 0.82 DPP4 (0.49) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5228044 0.78 TACR1 (0.39) DPP4DPP7DPP9DPP8SMN1; SMN2
SCHEMBL5233907 0.77 DPP4 (0.54) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5228869 0.77 DPP4 (0.54) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5227191 0.77 PARP1 (0.39) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL5227592 0.75 DPP4 (0.70) 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