SCHEMBL2473441

SCHEMBL2473441

CC=CC(=O)N1CCC(C(=O)NCCCOC)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TET3 O43151 2/20 0.43
FBXL19 Q6PCT2 2/20 0.43
CXXC5 Q7LFL8 2/20 0.43
KDM2B Q8NHM5 2/20 0.43
CXXC4 Q9H2H0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
TET1 Q8NFU7 1/20 0.43
CHRM2 P08172 1/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10253720 1.00 CHRM5 (0.48) CHRM5CHRM3KMT2AHTTSMN1; SMN2
SCHEMBL12194753 0.91 CHRM5 (0.48) CHRM5CHRM3KMT2AHTTSMN1; SMN2
SCHEMBL2473530 0.87 CHRM5 (0.53) CHRM5CHRM3KMT2AHTTSMN1; SMN2
SCHEMBL13182920 0.87 CHRM5 (0.53) CHRM5CHRM3KMT2AHTTSMN1; SMN2
SCHEMBL14312371 0.84 KCNA3 (0.41) KMT2ASMN1; SMN2ADRA1DADRA1AOPRM1
SCHEMBL2471608 0.83 CHRM5 (0.73) CHRM5CHRM3KMT2ATET3FBXL19
SCHEMBL13593903 0.83 CHRM5 (0.73) CHRM5CHRM3KMT2ATET3FBXL19
SCHEMBL2465417 0.82 CHRM5 (0.49) CHRM5CHRM3KMT2AHTTSMN1; SMN2
SCHEMBL2467179 0.81 ALDH1A1 (0.58) CHRM5CHRM3KMT2ATET3FBXL19
SCHEMBL2467182 0.81 ALDH1A1 (0.58) CHRM5CHRM3KMT2ATET3FBXL19

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
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed