SCHEMBL13796343

SCHEMBL13796343

COc1cccc(Nc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccc(Br)cc4)CC3)nc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 9/20 0.58
▸ SLC6A4 P31645 2/20 0.53
▸ PAK4 O96013 1/20 0.50
▸ PAK1 Q13153 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ ADRA2A P08913 5/20 0.48
▸ MCHR1 Q99705 4/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.47
▸ AQP1 P29972 2/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 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
SCHEMBL13796758 0.94 NPY5R (0.60) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13796660 0.93 NPY5R (0.68) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL14606717 0.93 NPY5R (0.68) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13796759 0.92 NPY5R (0.58) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13795709 0.91 NPY5R (0.65) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13796791 0.90 NPY5R (0.56) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13796870 0.89 NPY5R (0.68) NPY5RSLC6A4ALDH1A1MAPTHPGD
SCHEMBL13796365 0.89 NPY5R (0.54) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13796835 0.87 NPY5R (0.63) NPY5RSLC6A4PAK4PAK1KDM4E
SCHEMBL13795587 0.87 NPY5R (0.52) NPY5RSLC6A4PAK4PAK1KDM4E

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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