SCHEMBL7648744

SCHEMBL7648744

CC[N+](CC)(CC)CCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 4/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRNA7 P36544 4/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRM2 P08172 3/20 0.34
CHRM1 P11229 2/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 1/20 0.34
HIF1A Q16665 1/20 0.34

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
Hydrochloric Acid SCHEMBL9488670 0.98 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
Water SCHEMBL10361743 0.98 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL13391152 0.88 TSHR (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12560598 0.87 CHRNA7 (0.43) MEN1KMT2ATSHRMAPTALDH1A1
Tetraethylene Glycol SCHEMBL996862 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL28909670 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Tetrylammonium SCHEMBL8998036 0.85 TSHR (0.59) MEN1KMT2ATSHRMAPK1THRB
Iodide SCHEMBL30354179 0.85 CHRNA7 (0.45) TSHRCHRNA7CHRNB2CHRNB4CHRNA3
Bromide SCHEMBL30527259 0.85 DNM1 (0.42) MEN1KMT2ATSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL30527255 0.85 KDM4E (0.44) MEN1KMT2ATSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed