SCHEMBL13796433

SCHEMBL13796433

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccc2ccccc2c1

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 0.53
▸ MCHR1 Q99705 3/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ AQP1 P29972 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL13795958 0.94 NPY5R (0.69) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796437 0.93 NPY5R (0.68) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796826 0.92 NPY5R (0.67) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13795709 0.91 NPY5R (0.65) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13795839 0.90 NPY5R (0.71) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796820 0.90 NPY5R (0.76) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796997 0.90 NPY5R (0.79) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796328 0.89 NPY5R (0.75) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796833 0.89 NPY5R (0.75) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796774 0.88 NPY5R (0.83) NPY5RSLC6A4ADRA2AMCHR1NPY1R

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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