SCHEMBL8120804

SCHEMBL8120804

CCCC(CCC)C(=O)N[C@H](CCCN/C(N)=N\[N+](=O)[O-])C(=O)NCc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 18/20 0.58
▸ NPFFR1 Q9GZQ6 4/20 0.46
▸ NPFFR2 Q9Y5X5 2/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ NPY4R P50391 1/20 0.43

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
SCHEMBL8121201 0.89 NPY1R (0.54) NPY1RNPFFR1NPFFR2NPY5RCA1
SCHEMBL8124246 0.84 NPY1R (0.72) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8112857 0.84 CA2 (0.52) NPY1RNPFFR1NPFFR2NPY5RCA1
SCHEMBL8120056 0.83 NPY1R (0.60) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8123411 0.83 NPY1R (0.57) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8119387 0.81 NPY1R (0.45) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8125986 0.81 NPY1R (0.60) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8125831 0.81 NPY1R (0.53) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8127300 0.80 NPY1R (0.47) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8126146 0.80 NPY1R (0.53) NPY1RNPFFR1NPFFR2NPY5RNPY4R

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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