SCHEMBL6436892

SCHEMBL6436892

COC(=O)c1cncc(-c2cccc(NC[C@@H](C)N(C[C@H](O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.43
ADRB3 P13945 16/20 0.43
ADRB2 P07550 14/20 0.43
ALPL P05186 3/20 0.34
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL6438761 1.00 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPLCYP11B1
SCHEMBL6436890 1.00 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPLCYP11B1
SCHEMBL7977641 0.94 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL7977640 0.94 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL6435351 0.92 ADRB1 (0.44) ADRB1ADRB3ADRB2ALPL
SCHEMBL6435349 0.92 ADRB1 (0.44) ADRB1ADRB3ADRB2ALPL
SCHEMBL6432983 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6437274 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL7975452 0.87 ADRB1 (0.42) ADRB1ADRB3ADRB2
SCHEMBL6433728 0.87 ADRB1 (0.45) ADRB1ADRB3ADRB2ALPLCYP11B1

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