SCHEMBL7775406

SCHEMBL7775406

CCCCCCCCc1ccc(N2C[C@@H](c3ccccc3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.56
FADS1 O60427 1/20 0.53
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
HTR6 P50406 1/20 0.48
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
S1PR1 P21453 1/20 0.45

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
SCHEMBL7778041 0.94 GRM2 (0.52) GRM2FADS1FAAHMGLLS1PR1
SCHEMBL7776796 0.93 GRM2 (0.51) GRM2FADS1FAAHMGLLS1PR1
SCHEMBL7770531 0.86 GRM2 (0.62) GRM2FADS1
SCHEMBL7775263 0.85 GRM2 (0.50) GRM2S1PR1
SCHEMBL7775123 0.85 GRM2 (0.50) GRM2S1PR1
SCHEMBL7770572 0.84 GRM2 (0.54) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL7775071 0.83 GRM2 (0.57) GRM2FADS1
SCHEMBL7776959 0.83 GRM2 (0.50) GRM2FADS1S1PR1
SCHEMBL7775308 0.81 GRM2 (0.58) GRM2FADS1
SCHEMBL9057408 0.79 GRM2 (0.77) GRM2

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