SCHEMBL6157591

SCHEMBL6157591

C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]([C]=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.41
NPY1R P25929 9/20 0.41
NPY5R Q15761 8/20 0.41
NPY2R P49146 5/20 0.41
SIRT5 Q9NXA8 2/20 0.40
NOD1 Q9Y239 1/20 0.38
FOLH1 Q04609 1/20 0.34

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
SCHEMBL6161987 1.00 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL30792487 0.86 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL6376396 0.86 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL3194515 0.83 NOD1 (0.48) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL13482067 0.83 NOD1 (0.48) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL16468933 0.83 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL2189528 0.82 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9450569 0.82 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9450578 0.82 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL23286096 0.82 NOD1 (0.50) NPY4RNPY1RNPY5RNPY2RSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed