SCHEMBL8121310

SCHEMBL8121310

N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 17/20 0.50
▸ NPY5R Q15761 3/20 0.49
▸ NPY4R P50391 2/20 0.49
▸ NPFFR1 Q9GZQ6 2/20 0.48
▸ NPFFR2 Q9Y5X5 2/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ NPY2R P49146 1/20 0.47
▸ POLB P06746 1/20 0.43

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
SCHEMBL7751683 0.85 NPY1R (0.62) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8126877 0.85 POLB (0.40) NPY1RPOLB
SCHEMBL8121634 0.84 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8112679 0.83 NPY1R (0.58) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL6899864 0.82 NPY1R (0.71) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7059807 0.82 NPY1R (0.71) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8529342 0.82 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7746012 0.82 NPY1R (0.61) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL650331 0.82 NPY1R (0.72) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL4651828 0.82 NPY1R (0.61) 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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP claimed
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