SCHEMBL8588993

SCHEMBL8588993

CS(=O)(=O)Nc1cccc(OC[C@@H](O)CNCCc2ccc(OCc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.61
ADRB1 P08588 4/20 0.61
ADRB3 P13945 4/20 0.61
KCNH2 Q12809 4/20 0.57
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL8588458 0.92 ADRB1 (0.71) ADRB2ADRB1ADRB3KCNH2SLC6A2
SCHEMBL8588612 0.87 ADRB3 (0.56) ADRB2ADRB1ADRB3KCNH2
SCHEMBL8585796 0.83 ADRB3 (0.69) ADRB2ADRB1ADRB3
SCHEMBL8585797 0.83 ADRB3 (0.69) ADRB2ADRB1ADRB3
SCHEMBL8587950 0.81 ADRB3 (0.62) ADRB2ADRB1ADRB3
SCHEMBL8587948 0.81 ADRB3 (0.62) ADRB2ADRB1ADRB3
SCHEMBL8588380 0.80 ADRB3 (0.66) ADRB2ADRB1ADRB3
SCHEMBL8588377 0.80 ADRB3 (0.66) ADRB2ADRB1ADRB3
SCHEMBL9654030 0.79 ADRB1 (0.82) ADRB2ADRB1ADRB3KCNH2SLC6A2
SCHEMBL8589604 0.79 ADRB1 (0.48) ADRB2ADRB1ADRB3KCNH2

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