SCHEMBL4637746

SCHEMBL4637746

COc1ccc(-c2csc(NCCNCC(=O)N3CCCC3C#N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.54
DPP4 P27487 17/20 0.54
DPP7 Q9UHL4 2/20 0.51
DPP8 Q6V1X1 1/20 0.51
KCNQ1 P51787 1/20 0.47

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
SCHEMBL666576 1.00 PREP (0.54) PREPDPP4DPP7DPP8KCNQ1
SCHEMBL664104 0.90 PREP (0.56) PREPDPP4DPP7DPP8
SCHEMBL4594199 0.90 PREP (0.56) PREPDPP4DPP7DPP8
SCHEMBL4594774 0.90 DPP4 (0.61) PREPDPP4DPP7DPP8
SCHEMBL663069 0.90 DPP4 (0.61) PREPDPP4DPP7DPP8
SCHEMBL665131 0.89 DPP4 (0.59) DPP4DPP7DPP8
SCHEMBL4636329 0.89 DPP4 (0.59) DPP4DPP7DPP8
SCHEMBL665562 0.89 DPP4 (0.63) PREPDPP4DPP7DPP8
SCHEMBL4638619 0.89 DPP4 (0.63) PREPDPP4DPP7DPP8
SCHEMBL665934 0.89 DPP4 (0.66) PREPDPP4DPP7DPP8

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 4 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
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed