SCHEMBL8126150

SCHEMBL8126150

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.35
▸ NPY1R P25929 2/20 0.34
▸ EPOR P19235 5/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL8125832 0.92 F2 (0.36) F2NPY1REPOR
SCHEMBL8123419 0.85 TRPV1 (0.37) F2NPY1REPOR
SCHEMBL8120108 0.85 NPY4R (0.38) NPY1REPORCNR1CNR2
SCHEMBL7750681 0.85 NPY4R (0.38) NPY1REPORCNR1CNR2
SCHEMBL8124247 0.84 NPY1R (0.42) F2NPY1RCNR1CNR2
SCHEMBL8121207 0.84 NPY1R (0.35) F2NPY1R
SCHEMBL8114061 0.83 PLAAT3 (0.41) F2NPY1REPOR
SCHEMBL8125989 0.83 NPY1R (0.37) F2NPY1R
SCHEMBL8122024 0.82 HDAC3 (0.41) F2
SCHEMBL8112667 0.81 HDAC3 (0.42) F2EPOR

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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