SCHEMBL4563759

SCHEMBL4563759

Cc1csc2ncnc(N3CCC(NCC(O)COc4cccc(C(=O)OO)c4)CC3)c12

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.76
ADRB1 P08588 19/20 0.76
ADRB2 P07550 18/20 0.76

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
SCHEMBL4553360 0.86 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL4563758 0.83 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL4429287 0.82 ADRB2 (1.00) ADRB3ADRB1ADRB2
SCHEMBL4431341 0.82 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL6664676 0.82 ADRB2 (0.77) ADRB3ADRB1ADRB2
SCHEMBL4553362 0.81 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL4723441 0.77 ADRB3 (0.87) ADRB3ADRB1ADRB2
SCHEMBL4433680 0.76 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6664389 0.76 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL4441115 0.76 ADRB3 (1.00) 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
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO disclosed