SCHEMBL13796823

SCHEMBL13796823

CNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)CC2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.60
▸ ADRA2A P08913 6/20 0.60
▸ MCHR1 Q99705 6/20 0.60
▸ AQP1 P29972 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ SLC6A4 P31645 2/20 0.47
▸ GBA1 P04062 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ EDNRA P25101 1/20 0.44

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
SCHEMBL13796728 0.92 NPY5R (0.61) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796946 0.92 NPY5R (0.59) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796631 0.91 NPY5R (0.58) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL14606900 0.91 NPY5R (0.58) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL14606996 0.91 NPY5R (0.58) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796925 0.91 NPY5R (0.57) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796698 0.90 NPY5R (0.59) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13794173 0.89 NPY5R (0.71) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795929 0.88 NPY5R (0.56) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796468 0.88 AQP1 (0.57) 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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