SCHEMBL8587747

SCHEMBL8587747

O=C(O)c1cccc(COc2ccc(CCNC[C@H](O)COc3ccc(O)c(CO)c3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.65
ADRB1 P08588 13/20 0.54
ADRB2 P07550 10/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL8587752 1.00 ADRB3 (0.65) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL8657506 0.91 ADRB3 (0.69) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL8586629 0.91 ADRB3 (0.69) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL8588377 0.87 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL8588380 0.87 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL8758177 0.81 ADRB3 (0.68) ADRB3ADRB1ADRB2
SCHEMBL8587390 0.81 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL8587394 0.81 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL5433298 0.80 ADRB2 (0.63) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL5294673 0.80 ADRB2 (0.63) ADRB3ADRB1ADRB2MEN1KMT2A

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