SCHEMBL1120822

SCHEMBL1120822

CCOC(=O)Cc1[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc2c1C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.65
ADRA1A P35348 11/20 0.65
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL1120798 0.92 ADRB3 (0.63) ADRB3ADRA1A
SCHEMBL1120917 0.91 ADRB3 (0.64) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120920 0.91 ADRB3 (0.64) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL7255851 0.88 ADRB3 (0.69) ADRB3ADRA1A
SCHEMBL7255847 0.88 ADRB3 (0.69) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7250540 0.88 ADRB3 (0.69) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7250537 0.88 ADRB3 (0.69) ADRB3ADRA1A
SCHEMBL1120894 0.88 ADRB3 (0.66) ADRB3ADRA1AADRB2ADRB1
SCHEMBL5193807 0.87 ADRB3 (0.71) ADRB3ADRA1AADRB2ADRB1DRD2
SCHEMBL1120914 0.87 ADRB3 (0.62) ADRB3ADRA1ADRD2DRD4DRD3

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