SCHEMBL3036

SCHEMBL3036

C[Si](C)(C)CCOC(=O)c1ccccc1-c1ccc(CNC(CO)Cc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
BDKRB1 P46663 5/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL3020 0.93 SCN1A (0.42) PDCD1CD274SCN1ASCN2ASCN3A
SCHEMBL3035 0.84 SLC6A4 (0.47) SLC6A4SLC6A3PDCD1CD274SCN1A
SCHEMBL2971 0.83 BDKRB1 (0.36) PDCD1CD274SCN1ASCN2ASCN3A
SCHEMBL2722 0.83 BDKRB1 (0.36) PDCD1CD274SCN1ASCN2ASCN3A
SCHEMBL2127 0.77 SCN1A (0.50) SLC6A4SLC6A3L3MBTL1SCN1ASCN2A
SCHEMBL3019 0.77 ADRB3 (0.42) PDCD1CD274SCN1ASCN2ASCN3A
SCHEMBL3202 0.75 SCN1A (0.51) SLC6A4SLC6A3L3MBTL1SCN1ASCN2A
SCHEMBL2302 0.73 SCN1A (0.51) SLC6A4SLC6A3L3MBTL1SCN1ASCN2A
SCHEMBL1639 0.73 SLC6A4 (0.48) SLC6A4SLC6A3CA12CA7CA9
SCHEMBL1615 0.70 SCN1A (0.51) SLC6A4SLC6A3L3MBTL1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed