SCHEMBL7714567

SCHEMBL7714567

COC(=O)Cc1ccc(NCCN(CC(O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
PRKG1 Q13976 1/20 0.30

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
SCHEMBL8100555 1.00 ADRB2 (0.31) ADRB2ADRB1ADRB3PRKG1
SCHEMBL7714678 0.91 NR1H2 (0.34) ADRB2ADRB1ADRB3
SCHEMBL7714681 0.91 NR1H2 (0.34) ADRB2ADRB1ADRB3
SCHEMBL7714510 0.88 SSTR4 (0.30)
SCHEMBL7714509 0.88 SSTR4 (0.30)
SCHEMBL7716950 0.86 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL8901284 0.83 ADRB3 (0.33) ADRB2ADRB1ADRB3
SCHEMBL7716904 0.82 AOC3 (0.36) ADRB2ADRB1ADRB3
SCHEMBL6432465 0.81 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6432460 0.81 ADRB3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed