SCHEMBL1120894

SCHEMBL1120894

CCOC(=O)c1[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc2c1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.66
ADRA1A P35348 11/20 0.66
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
Hydrochloric Acid SCHEMBL1120918 0.99 ADRB3 (0.65) ADRB3ADRA1AADRB2ADRB1
SCHEMBL1120879 0.94 ADRB3 (0.62) ADRB3ADRA1A
SCHEMBL1120795 0.92 ADRB3 (0.67) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL1120841 0.91 ADRB3 (0.66) ADRB3ADRA1A
SCHEMBL1120882 0.90 ADRB3 (0.68) ADRB3ADRA1AADRB2ADRB1
SCHEMBL1120781 0.89 ADRB3 (0.51) ADRB3ADRA1AADRB2ADRB1
SCHEMBL5193807 0.88 ADRB3 (0.71) ADRB3ADRA1AADRB2ADRB1
Hydrochloric Acid SCHEMBL5196146 0.88 ADRB3 (0.70) ADRB3ADRA1AADRB2ADRB1
Hydrochloric Acid SCHEMBL5196140 0.88 ADRB3 (0.70) ADRB3ADRA1AADRB2ADRB1
SCHEMBL1120822 0.88 ADRB3 (0.65) ADRB3ADRA1AADRB2ADRB1

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