SCHEMBL27458047

SCHEMBL27458047

[CH2]Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.87
ADRB1 P08588 17/20 0.87
ADRB2 P07550 12/20 0.87

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
SCHEMBL7097357 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL9683296 0.86 ADRB3 (0.86) ADRB3ADRB1ADRB2
SCHEMBL9330198 0.86 ADRB3 (0.86) ADRB3ADRB1ADRB2
SCHEMBL7558367 0.85 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL7558376 0.85 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL11464927 0.85 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL7091323 0.83 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL8818458 0.82 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL8818471 0.82 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL27460413 0.81 ADRB3 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159797-A Aryloxy and arylthiopropanolamine derivative suseful as beta 3-adrenoreceptor agonists and antagonists of the beta 1 and beta 2-adrenoreceptors and pharmaceutical composition thereof SMITHKLINE BEECHAM PLC (GB) 1997-09-17 CN disclosed