SCHEMBL13794254

SCHEMBL13794254

CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc(F)c3)CC2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 14/20 0.69
▸ ADRA2A P08913 13/20 0.69
▸ MCHR1 Q99705 13/20 0.63
▸ SLC6A4 P31645 2/20 0.57
▸ GPR39 O43194 2/20 0.54
▸ AQP1 P29972 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL13793807 0.91 NPY5R (0.80) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793729 0.90 NPY5R (0.71) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794352 0.90 NPY5R (0.73) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794351 0.89 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794327 0.89 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793250 0.89 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794027 0.89 NPY5R (0.66) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794301 0.88 NPY5R (0.67) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793769 0.87 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793814 0.87 NPY5R (0.75) 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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