SCHEMBL13793764

SCHEMBL13793764

CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.71
▸ ADRA2A P08913 12/20 0.71
▸ MCHR1 Q99705 12/20 0.64
▸ SLC6A4 P31645 2/20 0.58
▸ AQP1 P29972 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GBA1 P04062 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL13794020 0.93 NPY5R (0.71) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793807 0.91 NPY5R (0.80) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794175 0.90 NPY5R (0.70) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793284 0.90 NPY5R (0.74) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794355 0.90 NPY5R (0.74) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794023 0.90 NPY5R (0.78) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793249 0.89 NPY5R (0.70) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794171 0.89 NPY5R (0.73) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794352 0.89 NPY5R (0.73) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793810 0.89 NPY5R (0.73) NPY5RADRA2AMCHR1SLC6A4AQP1

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