SCHEMBL13794175

SCHEMBL13794175

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

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.70
▸ ADRA2A P08913 17/20 0.70
▸ MCHR1 Q99705 17/20 0.70
▸ SLC6A4 P31645 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ AQP1 P29972 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
SCHEMBL13796872 0.92 NPY5R (0.61) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793760 0.92 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796212 0.91 NPY5R (0.60) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL14606986 0.91 NPY5R (0.60) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796761 0.91 NPY5R (0.59) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13794020 0.90 NPY5R (0.71) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13793764 0.90 NPY5R (0.71) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13795924 0.89 NPY5R (0.68) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL14606870 0.89 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13794235 0.89 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4ALDH1A1

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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