SCHEMBL6592789

SCHEMBL6592789

C[C@@H](CC(N)=O)CC(=O)N(C1CCCNCC1=O)[S+]([O-])c1ccccc1C#N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4770226 0.85
SCHEMBL6588697 0.79
SCHEMBL4762038 0.79 ALDH1A1 (0.35) SLC6A2SLC6A4
SCHEMBL4767091 0.78 RPLP1 (0.33)
SCHEMBL4767101 0.73 CTSD (0.37) SLC6A2SLC6A4
SCHEMBL6587495 0.73 TRPM8 (0.35) SLC6A2SLC6A4
SCHEMBL4763307 0.72 PSEN1 (0.32)
SCHEMBL6591183 0.70 CTSK (0.33)
SCHEMBL4767337 0.69 ALDH1A1 (0.35) SLC6A2SLC6A4
SCHEMBL4768444 0.69

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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed