SCHEMBL8587948

SCHEMBL8587948

O=C(O)c1ccccc1COc1ccc(CCNC[C@H](O)COc2ccc(O)c(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.62
ADRB1 P08588 18/20 0.62
ADRB2 P07550 17/20 0.62

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
SCHEMBL8587950 1.00 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL29900800 0.89 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL8588380 0.86 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL8588377 0.86 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL8585797 0.84 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL8585796 0.84 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL8820217 0.82 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL8588458 0.81 ADRB1 (0.71) ADRB3ADRB1ADRB2
SCHEMBL8588993 0.81 ADRB2 (0.61) ADRB3ADRB1ADRB2
SCHEMBL8588612 0.79 ADRB3 (0.56) ADRB3ADRB1ADRB2

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