SCHEMBL13796426

SCHEMBL13796426

COCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 16/20 0.51
▸ ADRA2A P08913 10/20 0.51
▸ MCHR1 Q99705 9/20 0.51
▸ SLC6A4 P31645 2/20 0.50
▸ AQP1 P29972 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 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
▸ TLR7 Q9NYK1 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ CNR2 P34972 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
SCHEMBL13795918 0.89 NPY5R (0.54) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796787 0.89 NPY5R (0.52) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796628 0.89 NPY5R (0.55) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796719 0.88 NPY5R (0.54) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796765 0.88 NPY5R (0.53) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13795588 0.88 NPY5R (0.48) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796815 0.87 NPY5R (0.52) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796808 0.87 NPY5R (0.54) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13797019 0.87 NPY5R (0.52) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796621 0.86 NPY5R (0.53) 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 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
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