SCHEMBL4669433

SCHEMBL4669433

CC(C)(Cc1c[nH]c(-c2ccccc2)n1)NCC(=O)N1CCCC1C#N

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.67
▸ DPP7 Q9UHL4 3/20 0.60
▸ DPP8 Q6V1X1 3/20 0.54
▸ DPP9 Q86TI2 3/20 0.54
▸ PREP P48147 1/20 0.52

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
SCHEMBL665953 1.00 DPP4 (0.67) DPP4DPP7DPP8DPP9PREP
SCHEMBL4604399 0.84 DPP4 (0.67) DPP4DPP7DPP8PREP
SCHEMBL666252 0.84 DPP4 (0.67) DPP4DPP7DPP8PREP
SCHEMBL4603607 0.83 DPP4 (0.66) DPP4DPP7DPP8DPP9
SCHEMBL666791 0.83 DPP4 (0.66) DPP4DPP7DPP8DPP9
SCHEMBL6401417 0.83 DPP4 (0.54) DPP4DPP8DPP9PREP
SCHEMBL1436592 0.83 DPP4 (0.71) DPP4DPP7DPP8DPP9
SCHEMBL666246 0.83 DPP4 (0.71) DPP4DPP7DPP8DPP9
SCHEMBL4606289 0.83 DPP4 (0.68) DPP4DPP7DPP8PREP
SCHEMBL665998 0.83 DPP4 (0.68) DPP4DPP7DPP8PREP

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
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