SCHEMBL4420809

SCHEMBL4420809

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 3/20 0.56
NPY4R P50391 4/20 0.54
NPY1R P25929 3/20 0.54
NPY2R P49146 3/20 0.54
ERAP2 Q6P179 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
OPRM1 P35372 1/20 0.47
NPY5R Q15761 2/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
BACE1 P56817 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL5032917 0.99 ENPEP (0.56) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL30252225 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL29948864 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL266555 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL266554 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL4293356 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL29365741 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL4293347 0.98 NPY4R (0.54) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL31467474 0.95 ERAP2 (0.55) ENPEPNPY4RNPY1RNPY2RERAP2
SCHEMBL27906627 0.94 ENPEP (0.52) ENPEPNPY4RNPY1RNPY2RERAP2

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-2040729-A2 ATTENUATION OF REPERFUSION INJURY Alavita Pharmaceuticals, Inc. (US) 2009-04-01 EP disclosed
WO-2008008561-A2 ATTENUATION OF REPERFUSION INJURY ALAVITA PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
WO-2004013303-A2 MODIFIED ANNEXIN PROTEINS AND METHODS FOR TREATING VASO-OCCLUSIVE SICKLE-CELL DISEASE SURROMED, INC. (US) 2004-02-12 WO disclosed