Trimethylammonium

Trimethylammonium

SCHEMBL8932725

CCC(C)OC(N)=O.CN(C)C

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
TSHR P16473 4/20 0.52
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM5 P08912 1/20 0.52
CHRM3 P20309 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPT P10636 2/20 0.50
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL473155 0.93
SCHEMBL25200468 0.93
Acetic Acid SCHEMBL2232465 0.86 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL23387653 0.86 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL6206193 0.81 LMNA (0.47) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL10782916 0.79 TSHR (0.46) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL29011882 0.78 LMNA (0.44) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL4760619 0.77 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL13594971 0.77 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL13594969 0.77 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996024331-A1 NEW MEDICAL FORMS WITH PROLONGED EFFECT APPLIED IN EYE MEDICINE AND THE METHOD FOR PREPARATION THEREOF ÚSTAV MAKROMOLEKULÁRNÍ CHEMIE AKADEMIE VE^¿D C^¿ESKÉ REPUBLIKY (CZ) 1996-08-15 WO disclosed