SCHEMBL4594205

SCHEMBL4594205

CC(C)(CNc1nc2ccccc2o1)NCC(=O)N1CCCC1C#N

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
DPP7 Q9UHL4 3/20 0.56
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53

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
SCHEMBL666645 1.00 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL4594222 0.84 DPP4 (0.66) DPP4DPP7DPP8
SCHEMBL665182 0.84 DPP4 (0.66) DPP4DPP7DPP8
SCHEMBL664025 0.82 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL665437 0.81 DPP4 (0.62) DPP4DPP7DPP8DPP9
SCHEMBL4604819 0.81 DPP4 (0.62) DPP4DPP7DPP8DPP9
SCHEMBL666689 0.81 DPP4 (0.62) DPP4DPP7DPP8DPP9
SCHEMBL663691 0.80 DPP4 (0.67) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL6697649 0.80 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL4594622 0.80 DPP4 (0.67) DPP4DPP7DPP8DPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed