SCHEMBL7040969

SCHEMBL7040969

NC(=O)C(N)c1ccc(CNC(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GSK3B P49841 1/20 0.40
MCHR1 Q99705 2/20 0.40
NPY5R Q15761 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ANPEP P15144 1/20 0.38
NPY4R P50391 2/20 0.37
NPFFR1 Q9GZQ6 2/20 0.37
NPFFR2 Q9Y5X5 2/20 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
SCHEMBL7042432 0.84 NPY1R (0.59) NPY1RMCHR1NPY5RNPY4RNPFFR1
SCHEMBL8587073 0.80 PADI4 (0.57) NPY1RMCHR1
SCHEMBL7040745 0.79 CA2 (0.49) NPY1R
SCHEMBL8126399 0.78 MCHR1 (0.55) NPY1RMCHR1NPY5RNPY4RNPFFR1
SCHEMBL7037362 0.78 NPY1R (0.50) NPY1RMCHR1NPY5RNPY4RNPFFR1
SCHEMBL7039247 0.78 NPY1R (0.53) NPY1RMCHR1NPY5RNPY4RNPFFR1
SCHEMBL8665188 0.77 MCHR1 (0.46) NPY1RMCHR1
SCHEMBL8528488 0.76 NPY1R (0.62) NPY1RMCHR1NPY5RNPY4RNPFFR1
SCHEMBL8126824 0.75 NPY1R (0.63) NPY1RMCHR1NPY5RNPY4RNPFFR1
SCHEMBL8120506 0.75 NPY1R (0.63) NPY1RMCHR1NPY5RNPY4RNPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed