SCHEMBL9716800

SCHEMBL9716800

CC(C)CN(CCCC(O)(c1ccc(Br)cc1)c1ccc(Br)cc1)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.49
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CACNA1G O43497 4/20 0.35
KCNH2 Q12809 2/20 0.35
MLYCD O95822 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL9716867 0.86 BCL2 (0.50) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716709 0.86 BCL2 (0.50) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716801 0.84 SIGMAR1 (0.62) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716799 0.84 BCL2 (0.48) BCL2SIGMAR1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9716825 0.83 CHRM4 (0.62) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716774 0.81 SIGMAR1 (0.55) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716879 0.80 BCL2 (0.44) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716757 0.77 BCL2 (0.42) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716767 0.77 BCL2 (0.42) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716787 0.76 SIGMAR1 (0.52) BCL2SIGMAR1CHRM2CHRM4CHRM5

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