SCHEMBL3202

SCHEMBL3202

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.51
SCN2A Q99250 3/20 0.51
SCN3A Q9NY46 3/20 0.51
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 3/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
BRS3 P32247 1/20 0.38
BDKRB1 P46663 1/20 0.38
LMNA P02545 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
AGTR1 P30556 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
SCHEMBL2127 0.90 SCN1A (0.50) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL28731741 0.85 ALDH1A1 (0.59) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL29500162 0.85 ALDH1A1 (0.59) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL2302 0.85 SCN1A (0.51) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3631447 0.83 TSHR (0.61) SCN1ASCN2ASCN3ASLC6A3ALDH1A1
SCHEMBL29500168 0.83 TSHR (0.61) SCN1ASCN2ASCN3ASLC6A3ALDH1A1
SCHEMBL5863187 0.82 TSHR (0.57) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL1615 0.82 SCN1A (0.51) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL562 0.79 SLC6A3 (0.68) SLC6A3SLC6A4TSHRBRS3BDKRB1
SCHEMBL29390423 0.79 SLC6A3 (0.68) SLC6A3SLC6A4TSHRBRS3BDKRB1

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
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-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed