SCHEMBL8817201

SCHEMBL8817201

CP(C)(=O)COc1ccc(CCNC[C@H](O)COc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.60
ADRB1 P08588 17/20 0.60
ADRB2 P07550 9/20 0.60

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
SCHEMBL8817218 1.00 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL8757939 0.90 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL8757924 0.90 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL8818471 0.89 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL8818458 0.89 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL8819914 0.88 ADRB1 (0.60) ADRB3ADRB1ADRB2
SCHEMBL7558376 0.85 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL7558367 0.85 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL7115574 0.83 ADRB3 (0.78) ADRB3ADRB1ADRB2
SCHEMBL7686851 0.83 ADRB3 (0.78) 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
WO-1997034905-A1 PHOSPHORUS CONTAINING ARYLOXY AND ARYLTHIOPROPANOL AMINE DERIVATIVES USEFUL AS BETA ADRENORECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-09-25 WO disclosed