SCHEMBL7123147

SCHEMBL7123147

CCOC(=O)CNC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPID Q08752 6/20 0.48
PPIB P23284 3/20 0.47
PPIG Q13427 2/20 0.47
PPIA P62937 1/20 0.47
NPY1R P25929 8/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASR P41180 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6895115 1.00 PPID (0.48) PPIDPPIBPPIGPPIANPY1R
Trifluoroacetic Acid SCHEMBL4699162 0.96 PPID (0.45) PPIDPPIBPPIGPPIANPY1R
SCHEMBL8612537 0.90 NPY1R (0.42) PPIDPPIBPPIGPPIANPY1R
SCHEMBL6900118 0.89 NPY1R (0.40) NPY1RCASRMEN1KMT2A
SCHEMBL8526447 0.89 TPSAB1 (0.37) PPIBNPY1RNPFFR1CASRMEN1
SCHEMBL6897697 0.87 TPSAB1 (0.38) NPY1RCYP2D6CASRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7040972 0.87 NPY1R (0.38) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL7038182 0.86 NPY1R (0.43) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL8527977 0.86 NPY1R (0.43) NPY1R
SCHEMBL8528714 0.85 TPSAB1 (0.38) NPY1RCASRMEN1KMT2A

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