SCHEMBL8120066

SCHEMBL8120066

CN(CCc1ccccc1)C(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 15/20 0.47
▸ CNR1 P21554 1/20 0.42
▸ NPY5R Q15761 4/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ NPFFR1 Q9GZQ6 2/20 0.40
▸ NPFFR2 Q9Y5X5 2/20 0.40

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
SCHEMBL8120885 0.86 NPY1R (0.55) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8119503 0.86 NPY1R (0.53) NPY1RCNR1NPY5RNPY2RNPY4R
SCHEMBL8526195 0.85 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8120837 0.85 NPY1R (0.50) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL8121592 0.85 CNR1 (0.47) NPY1RCNR1NPY5RNPY2RNPY4R
SCHEMBL7037325 0.83 NPY1R (0.51) NPY1RCNR1NPY5RNPY2RNPY4R
SCHEMBL8121280 0.83 NPY1R (0.51) NPY1RCNR1NPY5RNPY2RNPY4R
SCHEMBL7042405 0.83 NPY1R (0.51) NPY1RCNR1NPY5RNPY2RNPY4R
SCHEMBL7037336 0.83 NPY1R (0.51) NPY1RCNR1NPY5RNPY2RNPY4R
SCHEMBL7042397 0.83 NPY1R (0.51) NPY1RCNR1NPY5RNPY2RNPY4R

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
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