SCHEMBL13796759

SCHEMBL13796759

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 8/20 0.58
▸ SLC6A4 P31645 2/20 0.53
▸ PAK4 O96013 1/20 0.50
▸ PAK1 Q13153 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 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
▸ AQP1 P29972 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SOS1 Q07889 1/20 0.47
▸ ADRA2A P08913 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) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796365 0.94 NPY5R (0.54) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796660 0.93 NPY5R (0.68) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL14606717 0.93 NPY5R (0.68) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796343 0.92 NPY5R (0.58) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13795709 0.91 NPY5R (0.65) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13796791 0.90 NPY5R (0.56) NPY5RSLC6A4PAK4PAK1MAPT
SCHEMBL13795419 0.89 NPY5R (0.68) NPY5RSLC6A4MAPTALDH1A1HPGD
SCHEMBL13796692 0.89 NPY5R (0.59) NPY5RSLC6A4MAPTALDH1A1HPGD
SCHEMBL13796852 0.87 NPY5R (0.66) NPY5RSLC6A4MAPTALDH1A1HPGD

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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