SCHEMBL8636365

SCHEMBL8636365

N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(N)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 16/20 0.63
▸ NPY4R P50391 4/20 0.63
▸ NPY5R Q15761 3/20 0.63
▸ NPY2R P49146 1/20 0.55
▸ NPFFR1 Q9GZQ6 2/20 0.54
▸ NPFFR2 Q9Y5X5 2/20 0.54
▸ MCHR1 Q99705 1/20 0.51

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
SCHEMBL7059807 0.94 NPY1R (0.71) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL6899864 0.94 NPY1R (0.71) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL7751683 0.93 NPY1R (0.62) NPY1RNPY4RNPY5RNPY2RNPFFR1
Trifluoroacetic Acid SCHEMBL649618 0.88 NPY1R (0.66) NPY1RNPY4RNPY5RMCHR1
SCHEMBL8527213 0.88 NPY1R (0.63) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL650331 0.87 NPY1R (0.72) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL4651828 0.87 NPY1R (0.61) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL7746012 0.87 NPY1R (0.61) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL4651799 0.86 NPY1R (0.61) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL8528708 0.86 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP claimed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO claimed
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