SCHEMBL6157618

SCHEMBL6157618

CCCC1CCc2c(ccc(-c3cc(F)c(F)c(F)c3)c2F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
FYN P06241 1/20 0.35
DRD2 P14416 5/20 0.34
DRD3 P35462 5/20 0.34
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGIR P43119 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL14526312 0.94 HTR1D (0.34) HTR1DHTR1BFYNDRD2DRD3
SCHEMBL14526547 0.87 HTR1D (0.33) HTR1DHTR1BDRD2DRD3HTR1A
SCHEMBL18137117 0.86 HTR1A (0.32) HTR1AHTR7PTGIR
SCHEMBL14526314 0.86 HTR1D (0.31) HTR1DHTR1BDRD2DRD3PTGIR
SCHEMBL17356636 0.85 HTR1D (0.36) HTR1DHTR1BFYNCYP3A4CYP2C8
SCHEMBL14526207 0.84 HTR1D (0.31) HTR1DHTR1BDRD2DRD3
SCHEMBL14525748 0.82 HTR1D (0.33) HTR1DHTR1BDRD2DRD3PTGIR
SCHEMBL14525809 0.81 CYP11B2 (0.36) ALDH1A1
SCHEMBL14526296 0.81 FYN (0.36) FYNDRD2DRD3ALDH1A1MAPT
SCHEMBL5686395 0.81 HTR1D (0.36) HTR1DHTR1BFYNDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
EP-1191008-B1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2005-02-09 EP disclosed
US-6746728-B1 SUPERIOR LIQUID CRYSTALLINITY AND CO-SOLUBILITY WITH CURRENTLY USED LIQUID CRYSTAL COMPOUNDS; TEMPERATURE RANGE OVER WHICH LIQUID CRYSTALLINITY IS SHOWN IS BROAD; THRESHOLD VOLTAGE IS LOW; CAPABLE OF HIGH SPEED RESPONSE DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-08 US disclosed
EP-1191008-A1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-03-27 EP disclosed