SCHEMBL13796099

SCHEMBL13796099

NS(=O)(=O)c1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cc(OCC(F)(F)F)ccc4OCC(F)(F)F)CC3)nc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.49
▸ NPY5R Q15761 12/20 0.48
▸ ADRA2A P08913 8/20 0.48
▸ MCHR1 Q99705 8/20 0.48
▸ SLC6A4 P31645 2/20 0.45
▸ AQP1 P29972 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ APP P05067 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ VCP P55072 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL13796393 0.93 NPY5R (0.48) MRGPRX1NPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796789 0.88 NPY5R (0.51) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796690 0.86 NPY5R (0.49) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796693 0.86 NPY5R (0.52) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796389 0.85 NPY5R (0.51) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13795478 0.84 NPY5R (0.50) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796521 0.84 MRGPRX1 (0.56) MRGPRX1NPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796705 0.83 NPY5R (0.46) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13795460 0.83 NPY5R (0.48) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796883 0.82 MCHR1 (0.72) MRGPRX1NPY5RADRA2AMCHR1SLC6A4

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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