SCHEMBL2125107

SCHEMBL2125107

CC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)CC(C)C.C[C@@H](OC(=O)[C@@H](N)CCCNC(=N)N)[C@H](N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.39
NPY1R P25929 7/20 0.39
NPY2R P49146 5/20 0.37
NPY5R Q15761 5/20 0.37
ANPEP P15144 2/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 1/20 0.36
SLC7A5 Q01650 1/20 0.34
OTC P00480 1/20 0.32
DDAH1 O94760 1/20 0.31
FOLH1 Q04609 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
SCHEMBL1965668 0.91 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL7142819 0.90 NPY4R (0.34) NPY4RNPY1RNPY2RNPY5ROTC
Arginine SCHEMBL904454 0.88 OTC (0.41) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL6244161 0.88 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RANPEP
SCHEMBL306128 0.88 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RANPEP
Leucine SCHEMBL16348676 0.84 NPY4R (0.33) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL9551434 0.83 GSR (0.37) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL6130138 0.83 GSR (0.46) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL11408461 0.81 GSR (0.30)
SCHEMBL23408857 0.81 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RANPEP

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
US-20120135917-A1 Anti-Gram Negative Bacteria Agent TOKAI UNIVERSITY (JP) 2012-05-31 US disclosed
CN-102481369-A Anti-gram-negative bacteria agent UNIV TOKAI 2012-05-30 CN disclosed
EP-2444105-A1 ANTI-GRAM-NEGATIVE BACTERIA AGENT Tokai University (JP) 2012-04-25 EP disclosed