SCHEMBL8112967

SCHEMBL8112967

COC(=O)c1ccc(CNC(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 17/20 0.60
NPY4R P50391 4/20 0.53
NPY5R Q15761 3/20 0.53
NPFFR1 Q9GZQ6 2/20 0.52
NPFFR2 Q9Y5X5 2/20 0.52
MCHR1 Q99705 1/20 0.49
NPY2R P49146 1/20 0.49

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
SCHEMBL8120172 0.92 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8125834 0.91 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8119572 0.91 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL9201380 0.91 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8126824 0.90 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7037395 0.90 NPY1R (0.60) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8121488 0.90 NPY1R (0.60) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8119274 0.90 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8120506 0.90 NPY1R (0.63) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8528488 0.89 NPY1R (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed