SCHEMBL3201

SCHEMBL3201

CC(OC(=O)c1ccccc1-c1ccc(CBr)cc1)[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.49
SCN2A Q99250 3/20 0.49
SCN3A Q9NY46 3/20 0.49
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 3/20 0.42
BDKRB1 P46663 3/20 0.41
BRS3 P32247 2/20 0.40
LTB4R2 Q9NPC1 5/20 0.39
NPC1 O15118 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37

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
SCHEMBL2126 0.90 SCN1A (0.48) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL29500197 0.87 SCN1A (0.53) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL28731490 0.87 SCN1A (0.53) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL2301 0.84 SCN1A (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL1614 0.81 SCN1A (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL29390423 0.79 SLC6A3 (0.68) SLC6A3SLC6A4BDKRB1BRS3LTB4R2
SCHEMBL562 0.79 SLC6A3 (0.68) SLC6A3SLC6A4BDKRB1BRS3LTB4R2
SCHEMBL29500184 0.79 ALDH1A1 (0.60) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL28731468 0.79 ALDH1A1 (0.60) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL8670912 0.78 SLC6A3 (0.66) SLC6A3SLC6A4BDKRB1BRS3LTB4R2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed