SCHEMBL8126911

SCHEMBL8126911

NCCC[C@@H](C(=O)NC(N)=N[N+](=O)[O-])N(CCc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 18/20 0.39
▸ NPY4R P50391 2/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPFFR1 Q9GZQ6 2/20 0.35
▸ NPFFR2 Q9Y5X5 2/20 0.35
▸ NPY5R Q15761 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
SCHEMBL8119581 0.91 NPY1R (0.40) NPY1RNPY4RNPY2RNPFFR1NPFFR2
SCHEMBL8112501 0.90 KMT2A (0.38) —
SCHEMBL8122527 0.89 NPY1R (0.38) NPY1RNPY4RNPY2RNPFFR1NPFFR2
SCHEMBL8120680 0.88 CNR1 (0.36) NPY1R
SCHEMBL8111576 0.86 ALDH1A1 (0.39) —
SCHEMBL8119518 0.85 EPOR (0.37) —
SCHEMBL8112170 0.85 CNR1 (0.35) NPY1RNPY5R
SCHEMBL8120144 0.84 EPOR (0.35) NPY1R
SCHEMBL8121485 0.83 — —
SCHEMBL8119418 0.82 NPY1R (0.32) NPY1RNPY4RNPY5R

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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