SCHEMBL4639711

SCHEMBL4639711

COc1ccccc1-c1csc(NCCNCC(=O)N2CCCC2C#N)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
DPP8 Q6V1X1 9/20 0.50
DPP7 Q9UHL4 5/20 0.50

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
SCHEMBL665996 1.00 DPP4 (0.57) DPP4DPP8DPP7
SCHEMBL667337 0.90 DPP4 (0.50) DPP4DPP8DPP7
SCHEMBL6828251 0.90 DPP4 (0.50) DPP4DPP8DPP7
SCHEMBL665934 0.86 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL4594210 0.86 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL4594639 0.85 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL663599 0.85 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL666576 0.85 PREP (0.54) DPP4DPP8DPP7
SCHEMBL4637746 0.85 PREP (0.54) DPP4DPP8DPP7
SCHEMBL4594199 0.84 PREP (0.56) DPP4DPP8DPP7

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