SCHEMBL8119581

SCHEMBL8119581

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 17/20 0.40
▸ NPFFR1 Q9GZQ6 2/20 0.36
▸ NPFFR2 Q9Y5X5 2/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ NPY4R P50391 2/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ EPOR P19235 1/20 0.35

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
SCHEMBL8122527 0.97 NPY1R (0.38) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8126911 0.91 NPY1R (0.39) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8119418 0.91 NPY1R (0.32) NPY1RNPY5RNPY4REPOR
SCHEMBL8120144 0.91 EPOR (0.35) NPY1REPOR
SCHEMBL8126142 0.91 TDP1 (0.35) NPY1REPOR
SCHEMBL8114831 0.90 EPOR (0.39) EPOR
SCHEMBL8526325 0.89 MAPT (0.35) NPY1REPOR
SCHEMBL8120746 0.89 TDP1 (0.34) NPY1REPOR
SCHEMBL8120388 0.88 NR3C2 (0.34) NPY1REPOR
SCHEMBL8127523 0.88 NPY1R (0.33) NPY1REPOR

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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