SCHEMBL4594615

SCHEMBL4594615

CC(C)(CNc1cccc(-c2ccc(C(F)(F)F)cc2)n1)NCC(=O)N1CCCC1C#N

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
DPP7 Q9UHL4 1/20 0.55
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51

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
SCHEMBL665986 1.00 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL4593398 0.94 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL1435859 0.94 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL665981 0.93 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL1435956 0.93 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL7062374 0.91 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL666621 0.91 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL666264 0.91 DPP4 (0.70) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL1069250 0.91 DPP4 (0.63) DPP4DPP7DPP8DPP9
SCHEMBL4593781 0.89 DPP4 (0.63) 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