SCHEMBL6432600

SCHEMBL6432600

COC(=O)c1ccccc1-c1cccc(NCC(C)N(CC(O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.45
ADRB3 P13945 17/20 0.45
ADRB2 P07550 15/20 0.45
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BDKRB1 P46663 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
SCHEMBL6432603 1.00 ADRB1 (0.45) ADRB1ADRB3ADRB2SLC6A4SLC6A3
SCHEMBL6432983 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6437274 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL7964109 0.92 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7964112 0.92 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL6433079 0.90 ADRB3 (0.48) ADRB1ADRB3ADRB2
SCHEMBL6433080 0.90 ADRB3 (0.48) ADRB1ADRB3ADRB2
SCHEMBL6435349 0.89 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7977641 0.89 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL7977640 0.89 ADRB1 (0.49) ADRB1ADRB3ADRB2

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-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