SCHEMBL2126

SCHEMBL2126

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
BDKRB1 P46663 3/20 0.42
BRS3 P32247 2/20 0.42
LTB4R2 Q9NPC1 4/20 0.41
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
NPC1 O15118 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38

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
SCHEMBL3201 0.90 SCN1A (0.49) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL2301 0.86 SCN1A (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL2116 0.84 FOLH1 (0.45) SCN1ASCN2ASCN3ABRS3LTB4R2
SCHEMBL1614 0.83 SCN1A (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL8872472 0.80 SLC6A3 (0.48) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3019 0.80 ADRB3 (0.42) SCN1ASCN2ASCN3ABDKRB1LTB4R2
SCHEMBL3112718 0.78 SLC6A3 (0.69) SLC6A3SLC6A4BDKRB1BRS3LTB4R2
SCHEMBL3035 0.78 SLC6A4 (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL1639 0.76 SLC6A4 (0.48) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL2127 0.76 SCN1A (0.50) SCN1ASCN2ASCN3ASLC6A3SLC6A4

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