SCHEMBL7995229

SCHEMBL7995229

CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)N1CCCC1C#N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.56
DPP4 P27487 8/20 0.54
FAP Q12884 3/20 0.54
DPP8 Q6V1X1 3/20 0.54
DPP7 Q9UHL4 1/20 0.49
UCHL1 P09936 1/20 0.48

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
SCHEMBL7995226 1.00 PREP (0.56) PREPDPP4FAPDPP8DPP7
SCHEMBL7988401 0.88 DPP4 (0.48) PREPDPP4FAPDPP8
SCHEMBL7988406 0.88 DPP4 (0.48) PREPDPP4FAPDPP8
SCHEMBL7977842 0.86 DPP4 (0.64) PREPDPP4FAPDPP8DPP7
SCHEMBL7995839 0.86 DPP4 (0.64) PREPDPP4FAPDPP8DPP7
SCHEMBL7989792 0.85 DPP4 (0.51) PREPDPP4DPP8DPP7
SCHEMBL7989711 0.85 DPP4 (0.51) PREPDPP4DPP8DPP7
SCHEMBL30581944 0.85 UCHL1 (0.52) PREPUCHL1
SCHEMBL7988600 0.84 HDAC8 (0.52) PREPDPP4
SCHEMBL2709895 0.84 DPP4 (0.46) PREPDPP4DPP8

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
US-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed