SCHEMBL8528488

SCHEMBL8528488

NCc1ccc(CNC(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.62
NPY4R P50391 3/20 0.57
NPY5R Q15761 3/20 0.57
NPFFR1 Q9GZQ6 2/20 0.56
NPFFR2 Q9Y5X5 2/20 0.56
MCHR1 Q99705 1/20 0.53
NPY2R P49146 1/20 0.52

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
SCHEMBL8126824 0.94 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8120506 0.94 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8111886 0.93 NPY1R (0.62) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8124246 0.93 NPY1R (0.72) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL9201380 0.92 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8125951 0.92 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8126097 0.92 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7037380 0.92 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8119274 0.92 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7042824 0.92 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed