SCHEMBL6433080

SCHEMBL6433080

COC(=O)c1cccnc1-c1cccc(NC[C@@H](C)N(C[C@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.48
ADRB1 P08588 16/20 0.48
ADRB2 P07550 15/20 0.48
RORB Q92753 1/20 0.33
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
MCTS1 Q9ULC4 1/20 0.30

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
SCHEMBL6433079 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2RORBSLC16A3
SCHEMBL6432600 0.90 ADRB1 (0.45) ADRB3ADRB1ADRB2
SCHEMBL6432603 0.90 ADRB1 (0.45) ADRB3ADRB1ADRB2
SCHEMBL7977640 0.87 ADRB1 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6435349 0.87 ADRB1 (0.44) ADRB3ADRB1ADRB2
SCHEMBL6435351 0.87 ADRB1 (0.44) ADRB3ADRB1ADRB2
SCHEMBL7977641 0.87 ADRB1 (0.49) ADRB3ADRB1ADRB2
SCHEMBL7964109 0.87 ADRB1 (0.44) ADRB3ADRB1ADRB2
SCHEMBL7964112 0.87 ADRB1 (0.44) ADRB3ADRB1ADRB2
SCHEMBL6432983 0.86 ADRB1 (0.43) 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 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