SCHEMBL13796658

SCHEMBL13796658

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 16/20 0.57
▸ SLC6A4 P31645 2/20 0.51
▸ ADRA2A P08913 6/20 0.50
▸ MCHR1 Q99705 5/20 0.50
▸ SOS1 Q07889 2/20 0.49
▸ AQP1 P29972 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13796654 0.94 NPY5R (0.63) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL14606699 0.92 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13796852 0.92 NPY5R (0.66) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13795422 0.91 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13795419 0.90 NPY5R (0.68) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13796848 0.90 NPY5R (0.63) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13796079 0.88 NPY5R (0.56) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13796331 0.88 NPY5R (0.61) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13795454 0.88 NPY5R (0.61) NPY5RSLC6A4ADRA2AMCHR1SOS1
SCHEMBL13796775 0.88 NPY5R (0.73) NPY5RSLC6A4ADRA2AMCHR1SOS1

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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