SCHEMBL6438418

SCHEMBL6438418

COC(=O)c1cccc(-c2cccc(NCCN(CC(O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.45
ADRB1 P08588 4/20 0.45
ADRB3 P13945 4/20 0.45
CNR2 P34972 15/20 0.38
CNR1 P21554 2/20 0.36

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
SCHEMBL6438415 1.00 ADRB2 (0.45) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL7975458 0.96 ADRB2 (0.44) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6436883 0.94 ADRB2 (0.43) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6436886 0.94 ADRB2 (0.43) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6432465 0.90 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6432460 0.90 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6436830 0.87 ADRB1 (0.42) ADRB2ADRB1ADRB3
SCHEMBL6433728 0.87 ADRB1 (0.45) ADRB2ADRB1ADRB3
SCHEMBL7975450 0.87 ADRB1 (0.42) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL7975452 0.87 ADRB1 (0.42) ADRB2ADRB1ADRB3CNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed