SCHEMBL8022463

SCHEMBL8022463

CC(C)CCC1CCC([Si@H]2CC[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.37
GRIA1 P42261 1/20 0.37
GRIA3 P42263 1/20 0.37
HRH3 Q9Y5N1 7/20 0.37
KCNH2 Q12809 4/20 0.37
USP30 Q70CQ3 4/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL8022460 1.00 GRIA2 (0.37) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11524939 0.88 GRIA2 (0.45) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11524934 0.88 GRIA2 (0.45) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL8005231 0.86 MAOA (0.43) HRH3SLC6A2SLC6A4
SCHEMBL8005228 0.86 MAOA (0.43) HRH3SLC6A2SLC6A4
SCHEMBL9450875 0.84 GRIA1 (0.48) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL8030150 0.83 MEN1 (0.44) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL8398865 0.83 MEN1 (0.44) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL8030151 0.83 MEN1 (0.44) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL8031953 0.78 SIGMAR1 (0.37) GRIA2GRIA1GRIA3HRH3KCNH2

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-0670322-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-01-19 EP disclosed
US-5582764-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed
EP-0670322-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-06 EP disclosed