SCHEMBL9716709

SCHEMBL9716709

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.50
SIGMAR1 Q99720 1/20 0.45
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 6/20 0.38
ESR1 P03372 5/20 0.38
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 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
SCHEMBL9716774 0.94 SIGMAR1 (0.55) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716867 0.88 BCL2 (0.50) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716800 0.86 BCL2 (0.49) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716801 0.86 SIGMAR1 (0.62) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716799 0.85 BCL2 (0.48) BCL2SIGMAR1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9716825 0.84 CHRM4 (0.62) BCL2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9716879 0.81 BCL2 (0.44) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716767 0.78 BCL2 (0.42) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716757 0.78 BCL2 (0.42) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716787 0.77 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