SCHEMBL1120879

SCHEMBL1120879

CCOC(=O)c1[nH]c2ccc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)cc2c1C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.62
ADRA1A P35348 11/20 0.62
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1120894 0.94 ADRB3 (0.66) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL1120918 0.93 ADRB3 (0.65) ADRB3ADRA1A
SCHEMBL1120928 0.92 ADRB3 (0.64) ADRB3ADRA1A
SCHEMBL1120916 0.88 ADRB3 (0.60) ADRB3ADRA1A
SCHEMBL1120882 0.85 ADRB3 (0.68) ADRB3ADRA1A
SCHEMBL1120795 0.85 ADRB3 (0.67) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL1120841 0.85 ADRB3 (0.66) ADRB3ADRA1A
SCHEMBL4473479 0.82 ADRB3 (0.62) ADRB3ADRA1A
SCHEMBL1120781 0.82 ADRB3 (0.51) ADRB3ADRA1A
SCHEMBL7255851 0.82 ADRB3 (0.69) ADRB3ADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP claimed
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed