SCHEMBL6898240

SCHEMBL6898240

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNC(N)=O)cc1)C(=O)C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.38
NPY4R P50391 14/20 0.37
NPY5R Q15761 10/20 0.37
NPY2R P49146 5/20 0.37
NPFFR1 Q9GZQ6 2/20 0.35
NPFFR2 Q9Y5X5 2/20 0.35

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
SCHEMBL6898666 0.91 CYP2C9 (0.45) NPY1RNPY4RNPY5RNPY2R
SCHEMBL6898966 0.91 TDP1 (0.36) NPY1RNPY4RNPY5R
SCHEMBL7059809 0.91 NPY1R (0.42) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL6899868 0.91 NPY1R (0.42) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL7043612 0.90 NPY4R (0.35) NPY1RNPY4RNPY5RNPY2R
SCHEMBL8528025 0.89 NPY4R (0.34) NPY1RNPY4RNPY5RNPY2R
SCHEMBL7753039 0.89 NPY4R (0.38) NPY1RNPY4RNPY5RNPY2R
SCHEMBL1593414 0.89 NPY1R (0.42) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL6900020 0.89 CASR (0.38)
SCHEMBL6901717 0.87 EPOR (0.35) NPY1RNPY4RNPY5R

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
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
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 disclosed
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 disclosed