SCHEMBL7708906

SCHEMBL7708906

COC(=O)CCNC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.39
ADRB1 P08588 10/20 0.39
ADRB2 P07550 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.37
AOC3 Q16853 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL7714916 0.89 ADRB3 (0.40) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7714914 0.89 ADRB3 (0.40) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7708901 0.80 SLC6A2 (0.39) ADRB3ADRB1ADRB2GLAAOC3
SCHEMBL8586756 0.78 ADRB3 (0.41) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL8586761 0.78 ADRB3 (0.41) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9270684 0.78 MAPT (0.44) ADRB3ADRB1ADRB2
SCHEMBL9270681 0.78 MAPT (0.44) ADRB3ADRB1ADRB2
SCHEMBL9063602 0.78 AOC3 (0.43) MEN1KMT2AAOC3IDO1
SCHEMBL7716904 0.77 AOC3 (0.36) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7069969 0.76 ADRB3 (0.35) ADRB3ADRB1ADRB2GLAAOC3

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 5 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
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed
WO-1997021666-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed