SCHEMBL8588380

SCHEMBL8588380

O=C(O)c1ccccc1COc1ccc(CCNCC(O)COc2ccc(O)c(CO)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.66
ADRB2 P07550 7/20 0.57
ADRB1 P08588 15/20 0.53

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
SCHEMBL8588377 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1
SCHEMBL8587394 0.92 ADRB3 (0.65) ADRB3ADRB2ADRB1
SCHEMBL8587390 0.92 ADRB3 (0.65) ADRB3ADRB2ADRB1
SCHEMBL8585796 0.89 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL8585797 0.89 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL8587752 0.87 ADRB3 (0.65) ADRB3ADRB2ADRB1
SCHEMBL8587747 0.87 ADRB3 (0.65) ADRB3ADRB2ADRB1
SCHEMBL8657506 0.86 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL8586629 0.86 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL8587948 0.86 ADRB3 (0.62) ADRB3ADRB2ADRB1

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