SCHEMBL8125832

SCHEMBL8125832

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.36
▸ NPY1R P25929 2/20 0.35
▸ EPOR P19235 5/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ PLAAT3 P53816 1/20 0.30
▸ PLAAT5 Q96KN8 1/20 0.30
▸ PLAAT2 Q9NWW9 1/20 0.30
▸ PLAAT4 Q9UL19 1/20 0.30

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
SCHEMBL8126150 0.92 F2 (0.35) F2NPY1REPOR
SCHEMBL8123419 0.86 TRPV1 (0.37) F2NPY1REPORTRPV1
SCHEMBL8124247 0.85 NPY1R (0.42) F2NPY1R
SCHEMBL8121207 0.84 NPY1R (0.35) F2NPY1R
SCHEMBL8118604 0.84 NPY4R (0.38) NPY1REPOR
SCHEMBL8114061 0.83 PLAAT3 (0.41) F2NPY1REPORTRPV1PLAAT3
SCHEMBL8125989 0.83 NPY1R (0.37) F2NPY1RTRPV1
SCHEMBL8122024 0.83 HDAC3 (0.41) F2TRPV1PLAAT3PLAAT5PLAAT2
SCHEMBL8112667 0.82 HDAC3 (0.42) F2EPORTRPV1PLAAT3PLAAT5
SCHEMBL8112864 0.81 F2 (0.36) F2NPY1R

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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