SCHEMBL5232199

SCHEMBL5232199

O=C(O)N1CCn2nc(C(F)(F)F)nc2/C1=C\C1CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.33
DPP8 Q6V1X1 5/20 0.33
DPP7 Q9UHL4 7/20 0.32
DPP9 Q86TI2 2/20 0.31
NOTUM Q6P988 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5229227 0.84 HDAC4 (0.32) KMT2A
SCHEMBL3132676 0.77 DPP4 (0.35) DPP4DPP8DPP7DPP9NOTUM
SCHEMBL3131535 0.64 DPP4 (0.51) DPP4DPP8DPP7NOTUM
SCHEMBL19722716 0.58 DPP4 (0.50) DPP4DPP8DPP7NOTUM
SCHEMBL30595341 0.58 DPP4 (0.53) DPP4DPP8DPP7DPP9NOTUM
SCHEMBL14970399 0.56 DPP4 (0.56) DPP4DPP8DPP7DPP9KMT2A
SCHEMBL29404199 0.54 DPP4 (0.39) DPP4DPP8DPP7NOTUM
SCHEMBL3133282 0.54 DPP4 (0.46) DPP4DPP8DPP7NOTUM
SCHEMBL15492434 0.54 DPP4 (0.59) DPP4DPP8DPP7DPP9
SCHEMBL9944486 0.54 DPP4 (0.53) DPP4DPP8DPP7NOTUM

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