SCHEMBL5282919

SCHEMBL5282919

O=C(O)Oc1cccc(-c2cccc(COCCOc3ccc(CCNC[C@H](O)c4ccc(O)c(CO)c4)cc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.58
ADRB1 P08588 14/20 0.55
ADRB3 P13945 7/20 0.55
ADRA1D P25100 2/20 0.54
KDM4E B2RXH2 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
DRD4 P21917 1/20 0.51
SLC6A2 P23975 1/20 0.51
FPR3 P25089 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
GPR183 P32249 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL5282415 0.90 ADRB2 (0.59) ADRB2ADRB1ADRB3ADRA1DKDM4E
Acetic Acid SCHEMBL5284433 0.88 ADRB2 (0.62) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5285968 0.86 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL5433298 0.86 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL5294673 0.86 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1DKDM4E
Acetic Acid SCHEMBL5284576 0.86 ADRB2 (0.73) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL6164334 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL5278022 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL5430606 0.86 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL5430614 0.86 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1DKDM4E

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 claimed