SCHEMBL8124247

SCHEMBL8124247

NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 15/20 0.42
NPFFR1 Q9GZQ6 2/20 0.37
NPFFR2 Q9Y5X5 2/20 0.37
NPY5R Q15761 1/20 0.37
NPY4R P50391 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL8126826 0.94 CNR1 (0.37) NPY1RCNR1CNR2F2
SCHEMBL8111890 0.93 NPY1R (0.35) NPY1RNPY5RNPY4RCNR1CNR2
SCHEMBL8120508 0.93 F2 (0.38) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8528491 0.93 NPY1R (0.35) NPY1RNPY4RCNR1CNR2F2
SCHEMBL8126099 0.92 CNR1 (0.42) NPY1RCNR1CNR2
SCHEMBL8126766 0.92 TDP1 (0.43) NPY1RCNR1CNR2F2
SCHEMBL8119276 0.92 MEN1 (0.38) NPY1RCNR1CNR2F2
SCHEMBL8127055 0.92 CNR1 (0.39) NPY1RCNR1CNR2F2
SCHEMBL7037385 0.92 MAPT (0.36) NPY1RCNR1CNR2F2
SCHEMBL8125954 0.92 CNR1 (0.39) NPY1RNPY5RCNR1CNR2F2

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