SCHEMBL2473530

SCHEMBL2473530

CC=CC(=O)N1CCC(C(=O)NCCCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
EPHX2 P34913 2/20 0.47
NAMPT P43490 3/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
OPRL1 P41146 3/20 0.44
TET3 O43151 2/20 0.44
KMT2A Q03164 2/20 0.44
FBXL19 Q6PCT2 2/20 0.44
CXXC5 Q7LFL8 2/20 0.44
KDM2B Q8NHM5 2/20 0.44
CXXC4 Q9H2H0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET1 Q8NFU7 1/20 0.44
KCNA3 P22001 1/20 0.44
OPRM1 P35372 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
EPHX1 P07099 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
SCHEMBL13182920 1.00 CHRM5 (0.53) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL12194678 0.90 CHRM5 (0.52) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL14327401 0.89 KMT2A (0.46) CHRM5CHRM3EPHX2NAMPTOPRL1
SCHEMBL2467179 0.88 ALDH1A1 (0.58) CHRM5CHRM3ALDH1A1OPRL1TET3
SCHEMBL2467182 0.88 ALDH1A1 (0.58) CHRM5CHRM3ALDH1A1OPRL1TET3
SCHEMBL2473441 0.87 CHRM5 (0.48) CHRM5CHRM3HTTSMN1; SMN2OPRL1
SCHEMBL10253720 0.87 CHRM5 (0.48) CHRM5CHRM3HTTSMN1; SMN2OPRL1
SCHEMBL13593903 0.87 CHRM5 (0.73) CHRM5CHRM3ALDH1A1TET3KMT2A
SCHEMBL2471608 0.87 CHRM5 (0.73) CHRM5CHRM3ALDH1A1TET3KMT2A
SCHEMBL13594297 0.83 CHRM3 (0.53) CHRM5CHRM3EPHX2NAMPTHTT

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