SCHEMBL13796885

SCHEMBL13796885

CNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 17/20 0.64
▸ ADRA2A P08913 13/20 0.64
▸ MCHR1 Q99705 13/20 0.64
▸ AQP1 P29972 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SLC6A4 P31645 2/20 0.47
▸ TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL13796940 0.95 NPY5R (0.68) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796264 0.92 NPY5R (0.63) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796915 0.91 NPY5R (0.61) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796624 0.90 NPY5R (0.63) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795799 0.90 MCHR1 (0.80) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796680 0.90 NPY5R (0.64) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL3939621 0.89 MCHR1 (0.79) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL3939624 0.89 MCHR1 (0.79) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795911 0.87 NPY5R (0.57) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL3938818 0.87 ADRA2A (0.82) 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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