SCHEMBL13794130

SCHEMBL13794130

Cc1cc(Br)ccc1S(=O)(=O)NC[C@H]1CC[C@H](CNc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 16/20 0.75
▸ ADRA2A P08913 15/20 0.75
▸ MCHR1 Q99705 15/20 0.75
▸ 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
▸ SLC6A4 P31645 2/20 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
SCHEMBL13794069 0.91 ADRA2A (0.78) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13793768 0.90 NPY5R (0.74) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13794049 0.89 NPY5R (0.74) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13793288 0.87 ADRA2A (0.75) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13793248 0.87 NPY5R (0.74) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13793810 0.86 NPY5R (0.73) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL3941081 0.86 ADRA2A (1.00) NPY5RADRA2AMCHR1
SCHEMBL3938380 0.86 ADRA2A (1.00) NPY5RADRA2AMCHR1
SCHEMBL3938377 0.86 ADRA2A (1.00) NPY5RADRA2AMCHR1
SCHEMBL13793706 0.86 NPY5R (0.67) NPY5RADRA2AMCHR1AQP1ALDH1A1

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
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