SCHEMBL7989792

SCHEMBL7989792

COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@H]1C#N)C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.51
DPP8 Q6V1X1 5/20 0.51
DPP7 Q9UHL4 1/20 0.51
HDAC8 Q9BY41 1/20 0.42
PREP P48147 1/20 0.42

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
SCHEMBL7989711 1.00 DPP4 (0.51) DPP4DPP8DPP7HDAC8PREP
SCHEMBL7995839 0.88 DPP4 (0.64) DPP4DPP8DPP7HDAC8PREP
SCHEMBL7977842 0.88 DPP4 (0.64) DPP4DPP8DPP7HDAC8PREP
SCHEMBL7988401 0.85 DPP4 (0.48) DPP4DPP8HDAC8PREP
SCHEMBL7988406 0.85 DPP4 (0.48) DPP4DPP8HDAC8PREP
SCHEMBL7995229 0.85 PREP (0.56) DPP4DPP8DPP7PREP
SCHEMBL7995226 0.85 PREP (0.56) DPP4DPP8DPP7PREP
SCHEMBL7977798 0.84 HDAC8 (0.45) HDAC8
SCHEMBL5206796 0.83 DPP4 (0.44) DPP4DPP8DPP7
SCHEMBL2709895 0.81 DPP4 (0.46) DPP4DPP8PREP

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