SCHEMBL13796870

SCHEMBL13796870

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 16/20 0.68
▸ SLC6A4 P31645 2/20 0.57
▸ ADRA2A P08913 7/20 0.52
▸ MCHR1 Q99705 7/20 0.52
▸ AQP1 P29972 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GBA1 P04062 1/20 0.47

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
SCHEMBL13795454 0.94 NPY5R (0.61) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13795839 0.93 NPY5R (0.71) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796514 0.92 NPY5R (0.61) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13795419 0.90 NPY5R (0.68) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796774 0.90 NPY5R (0.83) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796776 0.89 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796714 0.89 NPY5R (0.60) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796343 0.89 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL14606899 0.89 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796623 0.89 NPY5R (0.63) NPY5RSLC6A4ADRA2AMCHR1AQP1

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 2 patents. 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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
Send feedback