SCHEMBL8589604

SCHEMBL8589604

CC(C)(C)OC(=O)N(c1ccc(OC[C@@H](O)CNCCc2ccc(OCc3ccccc3C(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.48
ADRB3 P13945 16/20 0.48
ADRB2 P07550 10/20 0.48
KCNH2 Q12809 1/20 0.45

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
SCHEMBL8589606 1.00 ADRB1 (0.48) ADRB1ADRB3ADRB2KCNH2
SCHEMBL8588458 0.82 ADRB1 (0.71) ADRB1ADRB3ADRB2KCNH2
SCHEMBL8585796 0.82 ADRB3 (0.69) ADRB1ADRB3ADRB2
SCHEMBL8585797 0.82 ADRB3 (0.69) ADRB1ADRB3ADRB2
SCHEMBL8587028 0.80 ADRB3 (0.50) ADRB1ADRB3ADRB2
SCHEMBL8587031 0.80 ADRB3 (0.50) ADRB1ADRB3ADRB2
SCHEMBL8588612 0.79 ADRB3 (0.56) ADRB1ADRB3ADRB2KCNH2
SCHEMBL8588993 0.79 ADRB2 (0.61) ADRB1ADRB3ADRB2KCNH2
SCHEMBL8588380 0.76 ADRB3 (0.66) ADRB1ADRB3ADRB2
SCHEMBL8588377 0.76 ADRB3 (0.66) ADRB1ADRB3ADRB2

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
WO-1998037056-A1 PHENOXYPROPANOLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1998-08-27 WO disclosed