Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL7417664

CCCC[N+](CCCC)(CCCC)CCCC.Cc1nc(NC(=O)OC(C)(C)C)ccc1CO.[F-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.35
CTSK P43235 4/20 0.34
CNR2 P34972 1/20 0.34
LCK P06239 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL6059352 0.87 LCK (0.40) PI4KBLCKPTGDR2SCN9A
SCHEMBL3888187 0.76 LCK (0.39) PI4KBLCKPTGDR2SCN9A
SCHEMBL6059214 0.76 LCK (0.39) PI4KBLCKPTGDR2SCN9A
SCHEMBL6059133 0.73 ALDH1A1 (0.36) LCKSCN9A
SCHEMBL29112758 0.72 CNR2 (0.41) CNR2LCKSCN9A
SCHEMBL6999990 0.72 MAPKAPK2 (0.38) LCKSCN9A
SCHEMBL6469040 0.71 LCK (0.46) LCKSCN9A
SCHEMBL6059110 0.71 BACE1 (0.37) LCKPTGDR2SCN9A
SCHEMBL6059293 0.71 LCK (0.34) PI4KBLCKPTGDR2SCN9A
SCHEMBL6059061 0.71 PPARG (0.37) LCKPTGDR2SCN9A

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
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed