SCHEMBL7757091

SCHEMBL7757091

CCCCC1CCC(CCc2ccc(F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR3 Q99500 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7757090 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL10479748 0.98 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL10479746 0.98 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL8015260 0.96 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL8771408 0.96 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL8015254 0.96 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL8015266 0.96 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2MAOA
SCHEMBL7754624 0.95 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL7510169 0.95 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL8159218 0.94 CYP3A4 (0.43) SLC6A2SLC6A4SLC6A3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668285-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2001-05-02 EP disclosed
EP-0708107-B1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHINETSU CHEMICAL CO (JP) 2001-02-28 EP disclosed
US-5624601-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
US-5595686-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-01-21 US disclosed
US-5543539-A TRANS CONFIGURATION DISPLAY ELEMENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-06 US disclosed
EP-0708107-A1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-04-24 EP disclosed
EP-0699683-A1 Novel silacyclohexane compounds a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-06 EP disclosed
EP-0668285-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-08-23 EP disclosed
US-4917819-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1990-04-17 US disclosed
EP-0205998-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1990-02-28 EP disclosed
US-4797228-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1989-01-10 US disclosed
EP-0205998-A1 Cyclohexane derivative and liquid crystal composition containing same Chisso Corporation (JP) 1986-12-30 EP disclosed