SCHEMBL13793741

SCHEMBL13793741

CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNc3nc(N(C)C)c4ccccc4n3)CC2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 14/20 0.61
▸ ADRA2A P08913 12/20 0.61
▸ MCHR1 Q99705 12/20 0.56
▸ SLC6A4 P31645 2/20 0.53
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ AQP1 P29972 2/20 0.47
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13793758 0.88 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793673 0.87 NPY5R (0.67) NPY5RADRA2AMCHR1SLC6A4MAPT
SCHEMBL13793692 0.87 NPY5R (0.67) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793287 0.86 NPY5R (0.66) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794171 0.84 NPY5R (0.73) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793245 0.83 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793250 0.83 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794177 0.83 NPY5R (0.72) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793814 0.83 NPY5R (0.75) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793807 0.83 NPY5R (0.80) NPY5RADRA2AMCHR1SLC6A4AQP1

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