SCHEMBL4594852

SCHEMBL4594852

N#CC1CCCN1C(=O)CNCCNc1nc(-c2ccccn2)cs1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.69
DPP7 Q9UHL4 5/20 0.55
DPP8 Q6V1X1 5/20 0.55
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 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
SCHEMBL664981 1.00 DPP4 (0.69) DPP4DPP7DPP8NPC1ALDH1A1
SCHEMBL665934 0.89 DPP4 (0.66) DPP4DPP7DPP8
SCHEMBL4594210 0.89 DPP4 (0.66) DPP4DPP7DPP8
SCHEMBL663069 0.88 DPP4 (0.61) DPP4DPP7DPP8
SCHEMBL4594774 0.88 DPP4 (0.61) DPP4DPP7DPP8
SCHEMBL4594094 0.85 DPP4 (0.58) DPP4DPP7DPP8
SCHEMBL663696 0.85 DPP4 (0.58) DPP4DPP7DPP8
SCHEMBL4593439 0.83 DPP4 (0.64) DPP4DPP7DPP8
SCHEMBL666660 0.83 DPP4 (0.64) DPP4DPP7DPP8
SCHEMBL665562 0.83 DPP4 (0.63) DPP4DPP7DPP8

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