SCHEMBL1120801

SCHEMBL1120801

CCOC(=O)CCc1c(C)[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.64
ADRA1A P35348 11/20 0.64

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
SCHEMBL1120785 0.92 ADRB3 (0.63) ADRB3ADRA1A
SCHEMBL1120798 0.90 ADRB3 (0.63) ADRB3ADRA1A
SCHEMBL1120881 0.88 ADRB3 (0.65) ADRB3ADRA1A
SCHEMBL1120874 0.88 ADRB3 (0.65) ADRB3ADRA1A
SCHEMBL1120819 0.88 ADRB3 (0.62) ADRB3ADRA1A
SCHEMBL1120820 0.88 ADRB3 (0.62) ADRB3ADRA1A
SCHEMBL7255847 0.88 ADRB3 (0.69) ADRB3ADRA1A
SCHEMBL7255851 0.88 ADRB3 (0.69) ADRB3ADRA1A
SCHEMBL1120809 0.87 ADRB3 (0.68) ADRB3ADRA1A
SCHEMBL1120790 0.87 ADRB3 (0.68) 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