SCHEMBL7775283

SCHEMBL7775283

O=C1O[C@H](c2ccccc2)CN1c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 7/20 0.65
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58
HTR6 P50406 3/20 0.57
GRM2 Q14416 2/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
HSD11B1 P28845 2/20 0.45
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
AR P10275 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9016279 0.89 FADS1 (0.79) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7775135 0.85 FADS1 (0.65) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL5785493 0.85 FADS1 (0.65) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL28023734 0.81 FADS1 (0.60) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7776725 0.81 FADS1 (0.60) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7807351 0.80 FADS1 (0.55) FADS1ROCK2ROCK1HTR6DDB1
SCHEMBL7775071 0.78 GRM2 (0.57) FADS1GRM2CYP3A4ADORA3
SCHEMBL5800881 0.76 FADS1 (0.54) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7946805 0.76 FADS1 (0.57) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL2757852 0.75 GRM2 (0.81) 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