SCHEMBL10651108

SCHEMBL10651108

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.41
NPY4R P50391 14/20 0.40
NPY1R P25929 8/20 0.40
NPY5R Q15761 8/20 0.40
NPY2R P49146 5/20 0.40
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
KEAP1 Q14145 1/20 0.37
GLO1 Q04760 1/20 0.37

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
SCHEMBL29481503 0.91 NOD1 (0.50) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29880339 0.87 NOD1 (0.44) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29404748 0.86 NOD1 (0.47) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29655840 0.86 PTGS1 (0.44) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29655852 0.86 PTGS1 (0.44) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29533359 0.86 PTGS1 (0.44) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29655791 0.86 PTGS1 (0.44) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29655812 0.86 PTGS1 (0.44) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL30943802 0.86 NOD1 (0.43) NOD1NPY4RNPY1RNPY5RNPY2R
SCHEMBL326722 0.86 NOD1 (0.39) NOD1NPY4RNPY1RNPY5RNPY2R

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-0162877-B1 METHOD TO TITRATE ENZYMES FLORK, Michel Louis André (FR) 1988-05-04 EP disclosed
EP-0162877-A1 Method to titrate enzymes. FLORK MICHEL (FR) 1985-12-04 EP disclosed
WO-1985002404-A1 NEW PEPTIDE DERIVATIVES, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF AS BIOLOGICAL REAGENTS FLORK MICHEL 1985-06-06 WO disclosed