SCHEMBL13795454

SCHEMBL13795454

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.61
▸ SLC6A4 P31645 2/20 0.53
▸ AQP1 P29972 2/20 0.49
▸ SOS1 Q07889 2/20 0.49
▸ ADRA2A P08913 5/20 0.48
▸ MCHR1 Q99705 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13796852 0.95 NPY5R (0.66) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL13795419 0.94 NPY5R (0.68) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL13796848 0.94 NPY5R (0.63) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL13796870 0.94 NPY5R (0.68) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796775 0.91 NPY5R (0.73) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL13796331 0.90 NPY5R (0.61) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL13796514 0.90 NPY5R (0.61) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795882 0.89 NPY5R (0.58) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL14606699 0.89 NPY5R (0.58) NPY5RSLC6A4AQP1SOS1ADRA2A
SCHEMBL13795958 0.89 NPY5R (0.69) NPY5RSLC6A4AQP1SOS1ADRA2A

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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