SCHEMBL8526459

SCHEMBL8526459

NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.54
NPY5R Q15761 5/20 0.54
NPY4R P50391 2/20 0.50
NPFFR1 Q9GZQ6 2/20 0.49
NPFFR2 Q9Y5X5 2/20 0.49
CTSD P07339 1/20 0.47
NPY2R P49146 1/20 0.47
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
MCHR1 Q99705 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
SCHEMBL8120862 1.00 NPY1R (0.54) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL5317762 0.96 NPY1R (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7597314 0.90 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8121995 0.90 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7597310 0.90 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL9200911 0.88 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9201260 0.86 NPY1R (0.55) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8118882 0.85 CPB2 (0.55) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9197461 0.85 CPB2 (0.55) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8118883 0.85 CPB2 (0.55) NPY1RNPY5RNPY4RNPFFR1NPFFR2

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