SCHEMBL700294

SCHEMBL700294

CCCCN(CCCC)c1ccc(C=Cc2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.97
CHRM4 P08173 2/20 0.97
CHRM5 P08912 2/20 0.97
CHRM1 P11229 2/20 0.97
CHRM3 P20309 2/20 0.97
KDM4A O75164 4/20 0.54
KDM2A Q9Y2K7 4/20 0.54
INSR P06213 2/20 0.47
CHRNA7 P36544 3/20 0.38
CHRNA10 Q9GZZ6 3/20 0.38
CHRNA9 Q9UGM1 3/20 0.38
APP P05067 4/20 0.38
CHAT P28329 1/20 0.38
ATG4B Q9Y4P1 1/20 0.37

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
Bromide SCHEMBL29408332 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL1527120 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30737946 0.96 CHRM2 (0.91) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL701716 0.95 CHRM2 (0.93) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13224060 0.94 CHRM2 (0.86) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL3420607 0.93 CHRM2 (0.89) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL3420614 0.93 CHRM2 (0.89) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13224013 0.88 CHRM2 (0.77) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14984181 0.88 CHRM2 (0.97) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10103997 0.88 CHRM2 (0.76) CHRM2CHRM4CHRM5CHRM1CHRM3

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-8124357-B2 Cell comprising exogenous clostridial toxin receptor for use as quality control agents in pharmaceutical and food processing ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-20080160561-A1 Lipophilic Dye-Based Fret Assays for Clostridal Toxin Activity ALLERGAN INC. (US) 2008-07-03 US disclosed