SCHEMBL8122914

SCHEMBL8122914

NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])N(Cc1ccc(O)cc1)C(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.34
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NPY4R P50391 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL8127055 0.92 CNR1 (0.39) NPY1RCNR1CNR2MAPTMAPK1
SCHEMBL8124247 0.91 NPY1R (0.42) NPY1RCNR1CNR2NPY4R
SCHEMBL9203067 0.86 CNR1 (0.40) NPY1RCNR1CNR2NPY4R
SCHEMBL8126826 0.86 CNR1 (0.37) NPY1RCNR1CNR2MAPT
SCHEMBL7753039 0.85 NPY4R (0.38) NPY1RCNR1CNR2NPY4R
SCHEMBL8111890 0.84 NPY1R (0.35) NPY1RCNR1CNR2NPY4RMAPT
SCHEMBL8120508 0.84 F2 (0.38) NPY1RCNR1CNR2NPY4RMAPT
SCHEMBL8528491 0.84 NPY1R (0.35) NPY1RCNR1CNR2NPY4RMAPT
SCHEMBL8121207 0.84 NPY1R (0.35) NPY1RNPY4R
SCHEMBL8125954 0.83 CNR1 (0.39) NPY1RCNR1CNR2MAPT

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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