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SCHEMBL6437274

SCHEMBL6437274

COC(=O)c1ccc(-c2cccc(NCC(C)N(CC(O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)c(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 18/20 0.43
▸ ADRB3 P13945 18/20 0.43
▸ ADRB2 P07550 16/20 0.41
▸ PTGER4 P35408 1/20 0.31
▸ CASR P41180 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
SCHEMBL6432983 1.00 ADRB1 (0.43) ADRB1ADRB3ADRB2PTGER4CASR
SCHEMBL6432600 0.92 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6432603 0.92 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6435349 0.92 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL6435351 0.92 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7977640 0.92 ADRB1 (0.49) ADRB1ADRB3ADRB2CASR
SCHEMBL7977641 0.92 ADRB1 (0.49) ADRB1ADRB3ADRB2CASR
SCHEMBL7964112 0.89 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7964109 0.89 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL8586133 0.87 ADRB3 (0.37) ADRB1ADRB3ADRB2PTGER4CASR

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 1 patent. 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