SCHEMBL4473479

SCHEMBL4473479

CCOC(=O)c1oc2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc2c1C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.62
ADRA1A P35348 11/20 0.62
HIF1A Q16665 2/20 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
SCHEMBL4484869 0.91 ADRB3 (0.63) ADRB3ADRA1A
SCHEMBL5196191 0.88 ADRB3 (0.67) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL5197931 0.87 ADRB3 (0.66) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL5197928 0.87 ADRB3 (0.66) ADRB3ADRA1A
SCHEMBL1120894 0.84 ADRB3 (0.66) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL1120918 0.83 ADRB3 (0.65) ADRB3ADRA1A
SCHEMBL6912057 0.83 ADRB3 (0.66) ADRB3ADRA1A
SCHEMBL6912064 0.83 ADRB3 (0.66) ADRB3ADRA1A
SCHEMBL1120879 0.82 ADRB3 (0.62) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7107163 0.82 ADRB3 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed