SCHEMBL6901712

SCHEMBL6901712

N=C(N)NCCC[C@@H](NC(=O)C(c1ccc(OCC(=O)O)cc1)c1ccc(OCC(=O)O)cc1)C(=O)NCc1ccc(CNC(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.57
NPY4R P50391 4/20 0.57
NPY5R Q15761 3/20 0.57
NPFFR1 Q9GZQ6 2/20 0.49
NPFFR2 Q9Y5X5 2/20 0.49
NPY2R P49146 1/20 0.48
MCHR1 Q99705 1/20 0.47

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
SCHEMBL6901901 0.91 NPY1R (0.53) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7040755 0.88 NPY1R (0.55) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7059807 0.86 NPY1R (0.71) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL6899864 0.86 NPY1R (0.71) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7036808 0.86 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7037374 0.85 NPY1R (0.57) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7038160 0.85 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7750618 0.84 NPY1R (0.60) NPY1RNPY4RNPY5RNPFFR1NPFFR2
Trifluoroacetic Acid SCHEMBL649618 0.81 NPY1R (0.66) NPY1RNPY4RNPY5RMCHR1
SCHEMBL7751683 0.81 NPY1R (0.62) 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 3 patents. 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 claimed
US-20040029953-A1 Use of neuropeptide-y antagonists in treatment of alcoholism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-12 US disclosed
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