SCHEMBL6680693

SCHEMBL6680693

Cc1ccc(NC(=O)Nc2cccc(CCCCOCCCCCCNCC(O)c3ccc(O)c(CO)c3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.78
ADRB1 P08588 19/20 0.78
ADRB3 P13945 19/20 0.78

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
SCHEMBL5448307 1.00 ADRB2 (0.78) ADRB2ADRB1ADRB3
SCHEMBL5448302 1.00 ADRB2 (0.78) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5452161 0.98 ADRB2 (0.82) ADRB2ADRB1ADRB3
SCHEMBL5452214 0.92 ADRB2 (0.78) ADRB2ADRB1ADRB3
SCHEMBL5452209 0.92 ADRB2 (0.78) ADRB2ADRB1ADRB3
SCHEMBL5440365 0.92 ADRB2 (0.77) ADRB2ADRB1ADRB3
SCHEMBL5440350 0.92 ADRB2 (0.77) ADRB2ADRB1ADRB3
SCHEMBL5445686 0.91 ADRB2 (0.82) ADRB2ADRB1ADRB3
SCHEMBL5445688 0.91 ADRB2 (0.82) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5448220 0.91 ADRB2 (0.81) ADRB2ADRB1ADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478620-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-11-24 EP disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO disclosed