SCHEMBL8309422

SCHEMBL8309422

CC(C(=O)OCC[N+](C)(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.60
CHRM1 P11229 9/20 0.60
CHRM4 P08173 8/20 0.60
CHRM3 P20309 8/20 0.60
CHRM5 P08912 4/20 0.60
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
BCHE P06276 2/20 0.48
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.43

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
Metocinium SCHEMBL2108327 0.84 CHRM2 (0.74) CHRM2CHRM1CHRM4CHRM3CHRM5
Metocinium SCHEMBL2732726 0.83 CHRM2 (0.72) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL10029779 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL7022310 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL28352271 0.78 CHRM2 (0.64) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL29156932 0.78 CHRM2 (0.64) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL5072133 0.77 CHRM2 (0.60) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL31256699 0.76 CHRM2 (0.58) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL9588270 0.75 ALDH1A1 (0.68) CHRM2CHRM1CHRM4CHRM3CHRM5
Aprofene SCHEMBL2354824 0.75 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3CHRM5

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-2004103357-A1 COMPOSITIONS FOR THE TREATMENT OF REDUCED BLOOD FLOW PHARMACIA CORPORATION (US) 2004-12-02 WO disclosed