SCHEMBL13795908

SCHEMBL13795908

COc1cccc(Nc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccc(Br)cc4OC(F)(F)F)CC3)nc3ccccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 15/20 0.70
▸ NPY5R Q15761 15/20 0.70
▸ ADRA2A P08913 14/20 0.70
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ PAK4 O96013 1/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPY1R P25929 1/20 0.44
▸ AQP1 P29972 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13796409 0.92 MCHR1 (0.79) MCHR1NPY5RADRA2ACNR1CNR2
SCHEMBL13796801 0.92 MCHR1 (0.73) MCHR1NPY5RADRA2ACNR1CNR2
SCHEMBL13795555 0.88 MCHR1 (0.71) MCHR1NPY5RADRA2ACNR1CNR2
SCHEMBL13796799 0.87 MCHR1 (0.73) MCHR1NPY5RADRA2ACNR1CNR2
SCHEMBL13795799 0.87 MCHR1 (0.80) MCHR1NPY5RADRA2AALDH1A1MAPT
SCHEMBL13796791 0.86 NPY5R (0.56) MCHR1NPY5RADRA2ACNR1CNR2
SCHEMBL14606992 0.86 MCHR1 (0.79) MCHR1NPY5RADRA2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3939624 0.86 MCHR1 (0.79) MCHR1NPY5RADRA2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3939621 0.86 MCHR1 (0.79) MCHR1NPY5RADRA2AALDH1A1MAPT
SCHEMBL13796951 0.86 MCHR1 (0.79) MCHR1NPY5RADRA2AALDH1A1MAPT

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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