SCHEMBL6152237

SCHEMBL6152237

CC1(C)OCc2cc(C(O)CNCCc3ccc(OCCOCc4cccc(C#N)c4)cc3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.42
ADRB3 P13945 7/20 0.38
ADRB1 P08588 4/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL5282846 1.00 ADRB2 (0.42) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5282855 1.00 ADRB2 (0.42) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5280173 0.92 ADRB2 (0.48) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5280167 0.92 ADRB2 (0.48) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5393168 0.90 ADRB2 (0.47) ADRB2ADRB3ADRB1DRD2DRD1
SCHEMBL5288433 0.88 ADRB3 (0.45) ADRB2ADRB3ADRB1
SCHEMBL5288452 0.88 ADRB3 (0.45) ADRB2ADRB3ADRB1
SCHEMBL6152016 0.87 ADRB2 (0.41) ADRB2ADRB3ADRB1
SCHEMBL5280870 0.87 ADRB2 (0.41) ADRB2ADRB3ADRB1
SCHEMBL5296071 0.87 ADRB3 (0.41) ADRB2ADRB3ADRB1

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 disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed