SCHEMBL7058205

SCHEMBL7058205

N=C(N)c1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.57
NPFFR1 Q9GZQ6 2/20 0.57
NPFFR2 Q9Y5X5 2/20 0.57
NPY5R Q15761 1/20 0.57
F2 P00734 5/20 0.54
F10 P00742 3/20 0.54
PRSS1 P07477 2/20 0.54
CTSB P07858 4/20 0.52
TMPRSS6 Q8IU80 2/20 0.51
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
F7 P08709 1/20 0.51
NPY4R P50391 1/20 0.51
PLG P00747 1/20 0.50
KLKB1 P03952 1/20 0.50
PROC P04070 1/20 0.50

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
SCHEMBL7798487 1.00 NPY1R (0.57) NPY1RNPFFR1NPFFR2NPY5RF2
SCHEMBL8121714 0.92 NPY1R (0.59) NPY1RNPFFR1NPFFR2NPY5RCTSB
SCHEMBL8526149 0.91 F2 (0.54) NPY1RNPFFR1NPFFR2NPY5RF2
SCHEMBL7802954 0.90 NPY1R (0.61) NPY1RNPFFR1NPFFR2NPY5RF2
SCHEMBL7802851 0.89 F2 (0.54) F2F10PRSS1CTSBTMPRSS6
SCHEMBL8121971 0.89 NPY1R (0.58) NPY1RNPFFR1NPFFR2NPY5RCTSB
SCHEMBL4652020 0.89 F7 (0.54) NPY1RNPFFR1NPFFR2NPY5RF2
SCHEMBL8112148 0.86 F2 (0.52) NPY1RNPFFR1NPFFR2NPY5RF2
SCHEMBL7751906 0.86 CTSB (0.49) F2F10PRSS1CTSBTMPRSS6
SCHEMBL8119788 0.85 CTSB (0.65) NPY1RNPFFR1NPFFR2NPY5RCTSB

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-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
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