SCHEMBL9716807

SCHEMBL9716807

CC(C)CN(CCCC(O)(c1ccccc1Cl)c1ccccc1Cl)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRK1 P41145 1/20 0.52
KCNH2 Q12809 1/20 0.52
BCL2 P10415 2/20 0.43
SIGMAR1 Q99720 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL9716891 0.92 HTR2A (0.65) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL9716797 0.83 SIGMAR1 (0.39) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL9716801 0.79 SIGMAR1 (0.62) HTR2AHTR2CADRA1AOPRK1KCNH2
Hydrochloric Acid SCHEMBL9716825 0.78 CHRM4 (0.62) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL9720946 0.76 SIGMAR1 (0.48) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL14288448 0.75 HTR2A (0.51) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL9716774 0.73 SIGMAR1 (0.55) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL9716709 0.72 BCL2 (0.50) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716867 0.72 BCL2 (0.50) KCNH2BCL2SIGMAR1CHRM2CHRM4
Fumaric Acid SCHEMBL9716886 0.71 BCL2 (0.62) HTR2AHTR2CADRA1AOPRK1KCNH2

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-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US claimed
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US disclosed