SCHEMBL5328933

SCHEMBL5328933

CC(C)Oc1ccc(COCCOc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.75
ADRB1 P08588 7/20 0.75
ADRB3 P13945 2/20 0.59
CHRM3 P20309 1/20 0.56
ADRA1D P25100 1/20 0.56

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
SCHEMBL5278741 1.00 ADRB2 (0.75) ADRB2ADRB1ADRB3CHRM3ADRA1D
Acetic Acid SCHEMBL5285823 0.96 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL5430171 0.92 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5287662 0.92 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5430614 0.90 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5430606 0.90 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5280247 0.89 ADRB2 (0.69) ADRB2ADRB1ADRB3ADRA1D
Acetic Acid SCHEMBL5287510 0.88 ADRB2 (0.66) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5437977 0.88 ADRB2 (0.72) ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5285826 0.86 ADRB2 (0.56) 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 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