SCHEMBL6436883

SCHEMBL6436883

CCOC(=O)c1cccc(-c2cccc(NCCN(C[C@H](O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
CNR2 P34972 11/20 0.36
CNR1 P21554 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL6436886 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6438415 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6438418 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL7975458 0.90 ADRB2 (0.44) ADRB2ADRB1ADRB3CNR2CNR1
SCHEMBL6432495 0.88 ADRB2 (0.40) ADRB2ADRB1ADRB3CNR1
SCHEMBL6432465 0.85 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6432460 0.85 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6434534 0.83 CYP1A2 (0.35) L3MBTL1
SCHEMBL6434526 0.83 CYP1A2 (0.35) L3MBTL1
SCHEMBL6436830 0.83 ADRB1 (0.42) ADRB2ADRB1ADRB3

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