SCHEMBL6901901

SCHEMBL6901901

COC(=O)COc1ccc(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(CNC(N)=O)cc2)c2ccc(OCC(=O)OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.53
NPY5R Q15761 3/20 0.53
NPY4R P50391 2/20 0.53
NPFFR1 Q9GZQ6 2/20 0.46
NPFFR2 Q9Y5X5 2/20 0.46
NPY2R P49146 1/20 0.45
MCHR1 Q99705 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
SCHEMBL6901712 0.91 NPY1R (0.57) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7040755 0.90 NPY1R (0.55) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7036808 0.84 NPY1R (0.61) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7038160 0.83 NPY1R (0.61) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7037374 0.83 NPY1R (0.57) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL6899864 0.83 NPY1R (0.71) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7059807 0.83 NPY1R (0.71) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7750618 0.83 NPY1R (0.60) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8528679 0.82 NPY1R (0.59) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8119876 0.80 NPY1R (0.57) 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 5 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
EP-1337257-A4 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM UNIV CALIFORNIA (US) 2004-04-07 EP disclosed
EP-1337257-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM The Regents of the University of California (US) 2003-08-27 EP 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
WO-2002028393-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-11 WO disclosed