SCHEMBL13793773

SCHEMBL13793773

Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNc3nc(N(C)C)c4ccccc4n3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.65
▸ ADRA2A P08913 12/20 0.65
▸ MCHR1 Q99705 12/20 0.59
▸ SLC6A4 P31645 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ AQP1 P29972 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL13793722 0.88 NPY5R (0.65) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793692 0.88 NPY5R (0.67) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13807897 0.88 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793720 0.87 NPY5R (0.68) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13807782 0.87 NPY5R (0.63) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793814 0.86 NPY5R (0.75) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13794355 0.86 NPY5R (0.74) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793807 0.85 NPY5R (0.80) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793729 0.85 NPY5R (0.71) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13794327 0.84 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
Send feedback