Trimethylammonium

Trimethylammonium

SCHEMBL6555079

CCN(CC)c1ccc(Cl)cc1.CN(C)C

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.59
ALDH1A1 P00352 3/20 0.54
GFER P55789 2/20 0.54
PSMD14 O00487 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CNR1 P21554 8/20 0.51
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2881066 0.95 CNR2 (0.63) CNR2ALDH1A1GFERPSMD14CYP3A4
SCHEMBL6344469 0.91 CNR2 (0.59) CNR2ALDH1A1GFERPSMD14CYP3A4
Methane SCHEMBL10535102 0.88 CNR2 (0.58) CNR2ALDH1A1GFERPSMD14CYP3A4
SCHEMBL8746233 0.83 CNR2 (0.53) CNR2ALDH1A1GFERPSMD14CYP3A4
SCHEMBL20148875 0.83 CNR2 (0.53) CNR2ALDH1A1GFERPSMD14CYP3A4
SCHEMBL15087673 0.82 CNR2 (0.57) CNR2CNR1
SCHEMBL1735497 0.82 ALDH1A1 (0.74) CNR2ALDH1A1GFERPSMD14CYP3A4
Trimethylammonium SCHEMBL6555899 0.81 ADRA2A (0.47) CNR2ALDH1A1CYP3A4TDP1CNR1
SCHEMBL10428619 0.80 CNR2 (0.55) CNR2ALDH1A1MAPK1CNR1MAPT
SCHEMBL10355544 0.80 CNR2 (0.50) CNR2ALDH1A1GFERPSMD14CYP3A4

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
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed