SCHEMBL5029030

SCHEMBL5029030

N#CC1(I)CCCN1C(=O)CCl

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15665006 0.77 DPP4 (0.52) DPP4ALDH1A1
SCHEMBL1967099 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1238647 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11847774 0.69 ALDH1A1 (0.37) DPP4ALDH1A1
SCHEMBL4594530 0.68 DPP4 (0.59) DPP4
SCHEMBL8637333 0.68 ALDH1A1 (0.36) DPP4ALDH1A1
SCHEMBL5011719 0.67 CTSL (0.34) DPP4
SCHEMBL15665598 0.66 ALDH1A1 (0.34) DPP4ALDH1A1
SCHEMBL2115152 0.62 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23043156 0.60 CYP4F2 (0.33) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004601-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Matrix Laboratories Limited (IN) 2008-12-24 EP disclosed
WO-2007113634-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (DE) 2007-10-11 WO disclosed
WO-2006012441-A1 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed