SCHEMBL7119676

SCHEMBL7119676

CC[CH]COCCCCCCNCC(O)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.41
ADRB3 P13945 14/20 0.41
ADRB1 P08588 13/20 0.38
KDM4E B2RXH2 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
FPR3 P25089 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
GPR183 P32249 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL15614682 0.89 ADRB2 (0.45) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL14357338 0.83 ADRB2 (0.57) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL2829651 0.83 ADRB2 (0.57) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL14357339 0.83 ADRB2 (0.57) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL23014462 0.81 ADRB2 (0.59) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL6428760 0.81 ADRB2 (0.59) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL928498 0.81 ADRB2 (0.59) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL925689 0.81 ADRB2 (0.59) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL2009351 0.80 ADRB2 (0.45) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL925085 0.80 ADRB2 (0.50) ADRB2ADRB3ADRB1SLC6A2HTR2A

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-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed