SCHEMBL13795706

SCHEMBL13795706

CN(CCc1ccccn1)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 16/20 0.53
▸ ADRA2A P08913 10/20 0.53
▸ MCHR1 Q99705 10/20 0.49
▸ SLC6A4 P31645 2/20 0.47
▸ AQP1 P29972 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GPR39 O43194 1/20 0.39

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
SCHEMBL13796755 0.92 NPY5R (0.58) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796440 0.89 NPY5R (0.62) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796783 0.89 NPY5R (0.52) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796853 0.88 NPY5R (0.54) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796550 0.86 NPY5R (0.60) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796814 0.86 NPY5R (0.61) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13794177 0.85 NPY5R (0.72) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796855 0.85 NPY5R (0.55) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796777 0.85 NPY5R (0.58) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13796828 0.83 NPY5R (0.53) 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
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