SCHEMBL28958133

SCHEMBL28958133

CC[Si](CC)(CC)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 4/20 0.45
MAOA P21397 1/20 0.45
AOC3 Q16853 1/20 0.44
MAOB P27338 1/20 0.43
HTR2A P28223 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
SCHEMBL28669826 0.86 TDP1 (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL19180885 0.86 SIGMAR1 (0.52) ADRA1ASLC6A3L3MBTL1SIGMAR1MAOA
SCHEMBL5804123 0.83 ADRA1A (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4261642 0.82 TAAR1 (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL23532316 0.82 KCNH2 (0.54) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL14838178 0.81 CHRM2 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL23532521 0.80 SIGMAR1 (0.46) ADRA1ASLC6A3L3MBTL1SIGMAR1MAOA
SCHEMBL31355423 0.79 CHRM2 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4494444 0.78 HDAC3 (0.47) ADRA1ASLC6A3L3MBTL1MEN1KMT2A
SCHEMBL31267513 0.78 HPGD (0.46) L3MBTL1MEN1KMT2ASIGMAR1

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
CN-115557985-B Method for selectively cracking C-S bond in thioether to form silane 成都泰蓉生物科技有限公司 2023-03-10 CN disclosed
CN-115557985-A Method for selectively cracking C-S bond in thioether to form silane 成都泰蓉生物科技有限公司 2023-01-03 CN disclosed