SCHEMBL13796984

SCHEMBL13796984

NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 13/20 0.75
▸ SLC6A4 P31645 2/20 0.75
▸ ADRA2A P08913 4/20 0.54
▸ MCHR1 Q99705 3/20 0.54
▸ AQP1 P29972 2/20 0.54
▸ NPY1R P25929 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL13795927 0.94 NPY5R (0.71) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796748 0.91 NPY5R (0.72) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796446 0.91 NPY5R (0.60) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796997 0.90 NPY5R (0.79) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796833 0.89 NPY5R (0.75) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796444 0.89 NPY5R (0.69) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796977 0.88 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13795920 0.88 NPY5R (0.64) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796976 0.88 NPY5R (0.58) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796820 0.88 NPY5R (0.76) 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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