SCHEMBL4697394

SCHEMBL4697394

N[C@@H]1CC(CN2CCCC(C(=O)O)C2)=CC[C@H]1c1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.71
GAA P10253 1/20 0.45
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3752653 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL3744685 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL3752647 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL4697391 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL3744695 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL4697389 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL3744690 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL3752644 1.00 DPP4 (0.71) DPP4GAANOTUMALDH1A1
SCHEMBL3745719 0.89 DPP4 (0.59) DPP4GAAALDH1A1
SCHEMBL3747790 0.89 DPP4 (0.59) DPP4GAAALDH1A1

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-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO claimed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed