SCHEMBL13796899

SCHEMBL13796899

CCN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.71
▸ ADRA2A P08913 16/20 0.71
▸ NPY5R Q15761 16/20 0.71
▸ AQP1 P29972 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ TDP1 Q9NUW8 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
SCHEMBL13796934 0.93 MCHR1 (0.70) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL3938818 0.93 ADRA2A (0.82) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL3938814 0.93 ADRA2A (0.82) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796199 0.91 MCHR1 (0.87) MCHR1ADRA2ANPY5R
SCHEMBL13796872 0.88 NPY5R (0.61) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796176 0.87 NPY5R (0.58) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796900 0.87 NPY5R (0.62) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796940 0.86 NPY5R (0.68) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796174 0.85 NPY5R (0.62) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796570 0.85 NPY5R (0.70) MCHR1ADRA2ANPY5RAQP1ALDH1A1

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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