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SCHEMBL6435349

SCHEMBL6435349

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)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 16/20 0.44
▸ ADRB3 P13945 16/20 0.44
▸ ADRB2 P07550 15/20 0.44
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ PLAU P00749 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ DHFR P00374 1/20 0.33

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
SCHEMBL6435351 1.00 ADRB1 (0.44) ADRB1ADRB3ADRB2FNTAFNTB
SCHEMBL7977641 0.96 ADRB1 (0.49) ADRB1ADRB3ADRB2FNTAFNTB
SCHEMBL7977640 0.96 ADRB1 (0.49) ADRB1ADRB3ADRB2FNTAFNTB
SCHEMBL6436890 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPL
SCHEMBL6438761 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPL
SCHEMBL6436892 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPL
SCHEMBL6432983 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6437274 0.92 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL8586129 0.90 ADRB3 (0.37) ADRB1ADRB3ADRB2PLAU
SCHEMBL8586133 0.90 ADRB3 (0.37) ADRB1ADRB3ADRB2PLAU

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