SCHEMBL13796427

SCHEMBL13796427

COc1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cccc5ccccc45)CC3)nc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 13/20 0.62
▸ ADRA2A P08913 4/20 0.62
▸ MCHR1 Q99705 3/20 0.62
▸ AQP1 P29972 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ NPY1R P25929 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ SLC6A4 P31645 2/20 0.47
▸ APP P05067 4/20 0.46
▸ BCHE P06276 4/20 0.46
▸ ACHE P22303 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13795833 0.90 NPY5R (0.52) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796737 0.89 NPY5R (0.65) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796889 0.88 NPY5R (0.49) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795622 0.88 NPY5R (0.64) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796342 0.87 NPY5R (0.57) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796842 0.87 AQP1 (0.47) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795942 0.87 NPY5R (0.68) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796090 0.86 NPY5R (0.51) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796330 0.86 MRGPRX1 (0.58) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL14606892 0.86 MRGPRX1 (0.51) NPY5RADRA2AMCHR1AQP1ALDH1A1

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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