SCHEMBL7042405

SCHEMBL7042405

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 16/20 0.51
▸ NPY5R Q15761 5/20 0.46
▸ NPY4R P50391 2/20 0.45
▸ NPFFR1 Q9GZQ6 2/20 0.45
▸ NPFFR2 Q9Y5X5 2/20 0.45
▸ NPY2R P49146 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42

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
SCHEMBL7042397 1.00 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8121280 0.94 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7037325 0.94 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7037336 0.94 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8126339 0.90 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8122091 0.89 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8126824 0.89 NPY1R (0.63) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8119503 0.88 NPY1R (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8112974 0.88 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8119924 0.88 NPY1R (0.58) 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
Send feedback