SCHEMBL13796835

SCHEMBL13796835

COc1cccc(Nc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cccc5ccccc45)CC3)nc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 11/20 0.63
▸ AQP1 P29972 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ HPGD P15428 2/20 0.63
▸ ADRA2A P08913 2/20 0.63
▸ MCHR1 Q99705 2/20 0.63
▸ NPY1R P25929 1/20 0.63
▸ NPY2R P49146 1/20 0.63
▸ NPY4R P50391 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ PAK4 O96013 1/20 0.51
▸ PAK1 Q13153 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SLC6A4 P31645 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49

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 0.91 NPY5R (0.60) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13795677 0.91 NPY5R (0.51) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13796829 0.90 NPY5R (0.74) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13795709 0.89 NPY5R (0.65) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13796766 0.88 AQP1 (0.49) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13796836 0.88 NPY5R (0.67) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13796660 0.88 NPY5R (0.68) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL14606717 0.88 NPY5R (0.68) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13796365 0.87 NPY5R (0.54) NPY5RAQP1ALDH1A1MAPTHPGD
SCHEMBL13796343 0.87 NPY5R (0.58) NPY5RAQP1ALDH1A1MAPTHPGD

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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