SCHEMBL8415948

SCHEMBL8415948

CO[Si@H]1CC[C@H](c2ccc(F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
KDM1A O60341 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PARP10 Q53GL7 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR1 P21453 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8415947 1.00 MAP1LC3B (0.35) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL8018152 0.95 S1PR1 (0.36) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL18161913 0.75 KDM1A (0.48) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL1066184 0.75 KDM1A (0.48) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL8977285 0.75 KDM1A (0.38) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL8030016 0.75 KDM1A (0.38) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL14064214 0.73 PTGS2 (0.41) MAP1LC3BHTR1ADRD2DRD1DRD5
Hydrochloric Acid SCHEMBL8416890 0.73 KDM1A (0.36) MAP1LC3BHTR1ADRD2DRD1DRD5
SCHEMBL8372185 0.73 HTR2A (0.38) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL8372187 0.73 HTR2A (0.38) HTR1ADRD2DRD1DRD5HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648773-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-09-08 EP disclosed
US-5547606-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-20 US disclosed
EP-0648773-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-04-19 EP disclosed