Cetylpyridinium

Cetylpyridinium

SCHEMBL1686038

CCCCCCCCCCCCCCCC[n+]1ccccc1.O=C([O-])c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Cetylpyridinium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C known ✓ Q13936 1/20 0.61
CHRM2 P08172 2/20 0.61
ADRA2A P08913 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
CHRM1 P11229 2/20 0.61
ACHE P22303 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
ABCB11 O95342 1/20 0.61
ESR1 P03372 1/20 0.61
PGR P06401 1/20 0.61
HTR1A P08908 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
PTGS1 P23219 1/20 0.61
PDE4A P27815 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61

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
Cetylpyridinium SCHEMBL5914632 0.97 KMT2A (0.60) CHRM2ADRA2AADORA3CHRM1ACHE
Benzoic Acid SCHEMBL28604982 0.94 CHRM2 (0.50) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL10953154 0.89 KMT2A (0.68) CHRM2ADRA2AADORA3CHRM1ACHE
Cetylpyridinium SCHEMBL9133885 0.88 CHRM2 (0.53) CHRM2ADRA2AADORA3CHRM1ACHE
Cetylpyridinium SCHEMBL9136155 0.86 CHRM2 (0.51) CHRM2ADRA2AADORA3CHRM1ACHE
Cetylpyridinium SCHEMBL9738456 0.85 ACHE (0.77) CHRM2ADRA2AADORA3CHRM1ACHE
Cetylpyridinium SCHEMBL9738452 0.85 ACHE (0.77) CHRM2ADRA2AADORA3CHRM1ACHE
Cetylpyridinium SCHEMBL9132312 0.84 CHRM2 (0.49) CHRM2ADRA2AADORA3CHRM1ACHE
Acetic Acid SCHEMBL29251961 0.84 ACHE (0.74) CHRM2ADRA2AADORA3CHRM1ACHE
Acetic Acid SCHEMBL9358811 0.84 ACHE (0.74) CHRM2ADRA2AADORA3CHRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3850062-A1 THE USE OF A WARM MIXTURE, BASED ON ORGANIC AMMONIUM COMPOUND AND A PHOSPHONATE AND A METHOD FOR TREATING WOOD WITH THE SAME MIXTURE Oy Granula AB LTD (FI) 2021-07-21 EP disclosed
WO-2020053472-A1 THE USE OF A WARM MIXTURE, BASED ON ORGANIC AMMONIUM COMPOUND AND A PHOSPHONATE AND A METHOD FOR TREATING WOOD WITH THE SAME MIXTURE OY GRANULA AB LTD (FI) 2020-03-19 WO disclosed
EP-1843880-B1 A METHOD FOR TREATING WOOD OY GRANULA AB LTD (FI) 2014-04-23 EP disclosed
US-8361210-B2 Method for treating wood OY GRANULA AB LTD. (FI) 2013-01-29 US disclosed
US-20110088590-A1 METHOD FOR TREATING WOOD OY GRANULA AB LTD. (FI) 2011-04-21 US disclosed
US-7812055-B2 Method for treating wood OY GRANULA AB LTD. (FI) 2010-10-12 US disclosed
US-20090208767-A1 Method For Treating Wood OY GRANULA AB LTD. (FI) 2009-08-20 US disclosed
EP-1843880-A1 A METHOD FOR TREATING WOOD Oy Granula AB LTD (FI) 2007-10-17 EP disclosed
WO-2006072659-A1 A METHOD FOR TREATING WOOD OY GRANULA AB LTD (FI) 2006-07-13 WO disclosed
EP-0091086-A2 Process for decreasing the friction resistance in flowing aqueous media HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-12 EP disclosed