SCHEMBL13091028

SCHEMBL13091028

CCCCN(CCCC)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
INSR P06213 2/20 0.54
RELA Q04206 2/20 0.53
ATG4B Q9Y4P1 1/20 0.53
AR P10275 1/20 0.51
APP P05067 4/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
CNR2 P34972 1/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MAPT P10636 1/20 0.43
KDM4A O75164 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL5493740 0.95 INSR (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5712602 0.95 INSR (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9822952 0.93 INSR (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28387158 0.93 INSR (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3045309 0.93 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915629 0.93 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6810830 0.93 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3045310 0.93 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2604957 0.89 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915589 0.87 CHRM2 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267078-A1 Selective Detection of Proteins that Contain Two or More Alpha-Helical Transmembrane Domains Life Technologies Corporation (US) 2010-10-21 US disclosed