SCHEMBL9203067

SCHEMBL9203067

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ NPY1R P25929 6/20 0.34
▸ NPFFR1 Q9GZQ6 2/20 0.33
▸ NPFFR2 Q9Y5X5 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ NPY4R P50391 1/20 0.32

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
SCHEMBL8122914 0.86 NPY1R (0.34) CNR1CNR2NPY1RNPY4R
SCHEMBL9195602 0.79 EPOR (0.32) —
Hydrochloric Acid SCHEMBL9200344 0.78 EPOR (0.32) —
SCHEMBL8127055 0.78 CNR1 (0.39) CNR1CNR2NPY1R
SCHEMBL7753039 0.77 NPY4R (0.38) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL8124247 0.77 NPY1R (0.42) CNR1CNR2NPY1RNPFFR1NPFFR2
SCHEMBL8121207 0.76 NPY1R (0.35) NPY1RNPY5RNPY4R
SCHEMBL9203349 0.76 — —
SCHEMBL8120056 0.73 NPY1R (0.60) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL8120806 0.73 ADAM17 (0.36) NPY1RNPY5RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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