SCHEMBL2970

SCHEMBL2970

CC(OC(=O)c1ccccc1-c1ccc(CNC(CO)Cc2c[nH]cn2)cc1)[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.39
BRS3 P32247 3/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ADRB3 P13945 1/20 0.33

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
SCHEMBL2721 1.00 BDKRB1 (0.39) BDKRB1BRS3PDCD1CD274SCN1A
SCHEMBL2722 0.85 BDKRB1 (0.36) BDKRB1BRS3PDCD1CD274SCN1A
SCHEMBL2971 0.85 BDKRB1 (0.36) BDKRB1BRS3PDCD1CD274SCN1A
SCHEMBL3019 0.85 ADRB3 (0.42) BDKRB1PDCD1CD274SCN1ASCN2A
SCHEMBL3035 0.83 SLC6A4 (0.47) BDKRB1BRS3PDCD1CD274SCN1A
SCHEMBL3054 0.77 LTB4R2 (0.49)
SCHEMBL2126 0.74 SCN1A (0.48) BDKRB1BRS3SCN1ASCN2ASCN3A
SCHEMBL3201 0.72 SCN1A (0.49) BDKRB1BRS3SCN1ASCN2ASCN3A
SCHEMBL1639 0.72 SLC6A4 (0.48) BDKRB1PDCD1CD274SCN1ASCN2A
SCHEMBL2301 0.69 SCN1A (0.47) BRS3SCN1ASCN2ASCN3A

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