SCHEMBL4593899

SCHEMBL4593899

N#CC1CCCN1C(=O)CNCCNc1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.70
DPP8 Q6V1X1 5/20 0.67
DPP7 Q9UHL4 5/20 0.67

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
SCHEMBL664217 1.00 DPP4 (0.70) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL6701343 0.99 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL4594622 0.84 DPP4 (0.67) DPP4DPP8DPP7
SCHEMBL663691 0.84 DPP4 (0.67) DPP4DPP8DPP7
SCHEMBL6830039 0.84 DPP4 (0.61) DPP4DPP8DPP7
SCHEMBL666167 0.83 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL4594757 0.83 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL3818211 0.82 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL3818215 0.82 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL4594395 0.82 DPP4 (0.64) 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 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