SCHEMBL9685838

SCHEMBL9685838

CCC(c1ccccc1)C(OB([O-])O)(c1ccccc1)c1ccccc1.C[N+](C)(C)CCCBr

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
ACHE P22303 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
Cetrimonium SCHEMBL9771961 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3SCN1A
Choline SCHEMBL9015249 0.87 SCN1A (0.34) CHRM2CHRM4CHRM1CHRM3SCN1A
Tetramethylammonium Ion SCHEMBL2428732 0.87 LMNA (0.34) CHRM2CHRM4CHRM1CHRM3
Tetrabuthylammonium SCHEMBL1350364 0.83 MEN1 (0.34) CHRM2CHRM1CHRM3
Tetrylammonium SCHEMBL4331841 0.82 CHRM2 (0.35) CHRM2CHRM1CHRM3
SCHEMBL8350821 0.82 MEN1 (0.35) CHRM2CHRM1CHRM3
Miristalkonium Ion SCHEMBL9686848 0.78 DNM1 (0.52) CHRM2CHRM4CHRM1CHRM3ACHE
Choline SCHEMBL9015236 0.78 SCN1A (0.35) CHRM2CHRM4CHRM1CHRM3SCN1A
Tetramethylammonium Ion SCHEMBL2428729 0.77 LMNA (0.36) CHRM2CHRM4CHRM1CHRM3SCN1A
Tetrabuthylammonium SCHEMBL810026 0.75 CTSK (0.35)

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
US-5153100-A Hexaarylbisimidazole and-or p-dialkylaminophenyl carbonyl compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
EP-0475153-A1 Borate coinitiators for photopolymerizable compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-18 EP disclosed