SCHEMBL4594320

SCHEMBL4594320

Cc1oc(-c2cccc(Cl)c2)nc1CC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.57
DPP7 Q9UHL4 3/20 0.55
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 1/20 0.49
NPC1 O15118 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
SCHEMBL666221 1.00 DPP4 (0.57) DPP4DPP7DPP8DPP9NPC1
SCHEMBL662815 0.92 DPP4 (0.59) DPP4DPP7DPP8DPP9
SCHEMBL7068756 0.90 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL666163 0.90 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL4594423 0.87 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL667317 0.87 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL664125 0.85 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL4593456 0.85 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL6404619 0.84 NPC1 (0.47) DPP4NPC1
SCHEMBL663417 0.84 NPC1 (0.47) DPP4NPC1

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