SCHEMBL6151764

SCHEMBL6151764

Cc1cccc(COCCOc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.63
ADRB1 P08588 12/20 0.62
ADRB3 P13945 6/20 0.60
ADRA1D P25100 1/20 0.59

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
SCHEMBL5280133 1.00 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1D
Acetic Acid SCHEMBL5292144 0.96 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL6164334 0.92 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5278022 0.92 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5430614 0.90 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5430606 0.90 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5284339 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5280034 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5394294 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5277994 0.90 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP claimed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO claimed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed