SCHEMBL13652111

SCHEMBL13652111

CN(CCCC(C(N)=O)(c1ccccc1)c1ccccc1)CCc1ccc2c(c1)OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.44
CHRM2 P08172 4/20 0.44
CHRM3 P20309 4/20 0.44
CHRM5 P08912 3/20 0.44
KCNH2 Q12809 3/20 0.44
CHRM4 P08173 2/20 0.44
DRD2 P14416 2/20 0.44
OPRM1 P35372 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
KCNE1 P15382 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL9426486 0.92 CHRM5 (0.52) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426611 0.91 HTR2A (0.42) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426661 0.87 TRPM8 (0.46) DRD2OPRM1ADRB1ADRA2AADRA2B
SCHEMBL9426690 0.86 CHRM5 (0.54) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426654 0.85 SIGMAR1 (0.37) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426568 0.85 CHRM2 (0.39) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426585 0.81 SIGMAR1 (0.52) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426230 0.80 SIGMAR1 (0.46) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426759 0.80 SIGMAR1 (0.46) CHRM1CHRM2CHRM3CHRM5KCNH2
SCHEMBL9426893 0.80 SIGMAR1 (0.46) CHRM1CHRM2CHRM3CHRM5KCNH2

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-2009125430-A2 IMPROVED PROCESS FOR PRODUCING DARIFENACIN MATRIX LABORATOIRES LIMITED (IN) 2009-10-15 WO disclosed