SCHEMBL5280492

SCHEMBL5280492

CC1(C)OCc2cc([C@@H](O)CNCCc3ccc(OCCCCc4ccccc4)cc3)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.56
CHRM3 P20309 3/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
DRD1 P21728 2/20 0.48
ADRB1 P08588 2/20 0.48
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB3 P13945 5/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
FPR3 P25089 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL5398075 0.92 ADRB2 (0.50) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5398084 0.92 ADRB2 (0.50) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5393168 0.92 ADRB2 (0.47) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5280173 0.91 ADRB2 (0.48) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5280167 0.91 ADRB2 (0.48) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5394742 0.89 ADRB2 (0.47) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5394748 0.89 ADRB2 (0.47) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL5433683 0.88 ADRB2 (0.45) ADRB2DRD2DRD4DRD3DRD1
SCHEMBL14357339 0.88 ADRB2 (0.57) ADRB2DRD2DRD4DRD3ADRB1
SCHEMBL14357338 0.88 ADRB2 (0.57) ADRB2DRD2DRD4DRD3ADRB1

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-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed