SCHEMBL7770542

SCHEMBL7770542

CCCCCCCCC(F)COc1ccc(N2C[C@@H](c3ccccc3)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.48
FADS1 O60427 2/20 0.48
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HTR6 P50406 1/20 0.42

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
SCHEMBL7770572 0.87 GRM2 (0.54) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL7775406 0.79 GRM2 (0.56) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL7778145 0.78 KMT2A (0.52) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL7775123 0.76 GRM2 (0.50) GRM2
SCHEMBL7775263 0.76 GRM2 (0.50) GRM2
SCHEMBL7776959 0.76 GRM2 (0.50) GRM2FADS1
SCHEMBL7776725 0.75 FADS1 (0.60) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL9148171 0.75 LTA4H (0.49)
SCHEMBL9145900 0.75 LTA4H (0.49)
SCHEMBL7770531 0.73 GRM2 (0.62) GRM2FADS1

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-0683158-B1 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 2001-08-16 EP disclosed
US-5624600-A Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed
EP-0683158-A2 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-11-22 EP disclosed