SCHEMBL7037362

SCHEMBL7037362

COc1ccc(C(C(=O)N[C@H](CCCN/C(N)=N\[N+](=O)[O-])C(=O)NCc2ccc(C(N)C(N)=O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 17/20 0.50
▸ NPY5R Q15761 3/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPFFR1 Q9GZQ6 2/20 0.43
▸ NPFFR2 Q9Y5X5 2/20 0.43
▸ NPY2R P49146 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL7042432 0.90 NPY1R (0.59) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7040745 0.84 CA2 (0.49) NPY1R
SCHEMBL8120531 0.83 NPY1R (0.61) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8112967 0.82 NPY1R (0.60) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7039247 0.82 NPY1R (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7037395 0.82 NPY1R (0.60) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8126824 0.82 NPY1R (0.63) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8119274 0.81 NPY1R (0.63) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8120506 0.81 NPY1R (0.63) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8120056 0.81 NPY1R (0.60) NPY1RNPY5RNPY4RNPFFR1NPFFR2

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-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 — — EP disclosed
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