SCHEMBL13796446

SCHEMBL13796446

NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 13/20 0.60
▸ SLC6A4 P31645 2/20 0.60
▸ ADRA2A P08913 5/20 0.56
▸ MCHR1 Q99705 5/20 0.56
▸ AQP1 P29972 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ GBA1 P04062 2/20 0.53
▸ BCDIN3D Q7Z5W3 1/20 0.51
▸ SOS1 Q07889 1/20 0.46

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
SCHEMBL13795920 0.93 NPY5R (0.64) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796976 0.93 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796977 0.93 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13795925 0.93 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13797013 0.91 NPY5R (0.55) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796439 0.91 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13795921 0.91 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796984 0.91 NPY5R (0.75) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796983 0.90 NPY5R (0.56) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796641 0.90 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1AQP1

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 1 patent. 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
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