SCHEMBL1614

SCHEMBL1614

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.47
SCN2A Q99250 4/20 0.47
SCN3A Q9NY46 4/20 0.47
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
DRD1 P21728 3/20 0.42
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
SLC6A2 P23975 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 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
SCHEMBL2301 0.85 SCN1A (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL2126 0.83 SCN1A (0.48) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3201 0.81 SCN1A (0.49) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL707956 0.79 SLC6A3 (0.67) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL1615 0.75 SCN1A (0.51) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL9569998 0.75 SLC6A3 (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3019 0.72 ADRB3 (0.42) SCN1ASCN2ASCN3ABDKRB1
SCHEMBL9597954 0.72 KDM4E (0.50) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29951779 0.72 KDM4E (0.50) DRD1DRD2DRD4DRD5DRD3
SCHEMBL27636054 0.70 SCN1A (0.62) 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