SCHEMBL1120897

SCHEMBL1120897

Cc1c(OC(=O)O)[nH]c2cc(NCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.49
ADRA1A P35348 11/20 0.49

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
SCHEMBL1120787 0.91 ADRB3 (0.50) ADRB3ADRA1A
SCHEMBL1120772 0.89 ADRB3 (0.64) ADRB3ADRA1A
SCHEMBL1120829 0.88 ADRB3 (0.49) ADRB3ADRA1A
SCHEMBL1120781 0.84 ADRB3 (0.51) ADRB3ADRA1A
SCHEMBL1120824 0.80 ADRB3 (0.65) ADRB3ADRA1A
SCHEMBL1120799 0.78 ADRB3 (0.65) ADRB3ADRA1A
SCHEMBL1120795 0.77 ADRB3 (0.67) ADRB3ADRA1A
Trifluoroacetic Acid SCHEMBL5193725 0.77 ADRB3 (0.64) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL1120841 0.77 ADRB3 (0.66) ADRB3ADRA1A
SCHEMBL5193807 0.77 ADRB3 (0.71) 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
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP claimed