SCHEMBL6168050

SCHEMBL6168050

CC(C)S(=O)(=O)c1cccc(COCCOc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.61
ADRB1 P08588 18/20 0.61
ADRB3 P13945 16/20 0.61

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
SCHEMBL5284125 1.00 ADRB2 (0.61) ADRB2ADRB1ADRB3
SCHEMBL6152157 1.00 ADRB2 (0.61) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5280432 0.97 ADRB2 (0.65) ADRB2ADRB1ADRB3
SCHEMBL5279473 0.91 ADRB2 (0.73) ADRB2ADRB1ADRB3
SCHEMBL5279480 0.91 ADRB2 (0.73) ADRB2ADRB1ADRB3
SCHEMBL5457628 0.91 ADRB2 (0.73) ADRB2ADRB1ADRB3
SCHEMBL5286542 0.91 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL5279621 0.91 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL5282226 0.91 ADRB2 (0.68) ADRB2ADRB1ADRB3
SCHEMBL5282232 0.91 ADRB2 (0.68) 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-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