SCHEMBL7059809

SCHEMBL7059809

N=C(N)NCCC[C@@H](C(N)=O)N(Cc1ccc(CNC(N)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.42
NPY4R P50391 2/20 0.42
NPY5R Q15761 2/20 0.42
TPSAB1 Q15661 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
NPFFR1 Q9GZQ6 2/20 0.36
NPFFR2 Q9Y5X5 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CNR1 P21554 1/20 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
SCHEMBL6899868 1.00 NPY1R (0.42) NPY1RNPY4RNPY5RTPSAB1MEN1
Trifluoroacetic Acid SCHEMBL649619 0.95 NPY1R (0.43) NPY1RNPY4RNPY5R
Trifluoroacetic Acid SCHEMBL7045238 0.95 NPY1R (0.43) NPY1RNPY4RNPY5R
SCHEMBL8528714 0.93 TPSAB1 (0.38) NPY1RNPY4RNPY5RTPSAB1MEN1
SCHEMBL8528076 0.92 TPSAB1 (0.39) NPY1RTPSAB1MEN1KMT2APOLB
SCHEMBL1389118 0.92 CNR1 (0.41) TPSAB1MEN1KMT2ATDP1CNR1
SCHEMBL30905434 0.92 CNR1 (0.41) TPSAB1MEN1KMT2ATDP1CNR1
SCHEMBL8636367 0.92 NPY1R (0.38) NPY1RNPY4RNPY5RTPSAB1MEN1
SCHEMBL6898240 0.91 NPY1R (0.38) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8527214 0.91 CNR1 (0.39) NPY1RNPY4RNPY5RTPSAB1MEN1

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