SCHEMBL7909946

SCHEMBL7909946

CCCC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
MAOB P27338 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
KMT2A Q03164 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
SCHEMBL7909953 1.00 HRH3 (0.34) HRH3MAOBTDP1MAOAMOGAT2
SCHEMBL7912099 0.97 TDP1 (0.34) HRH3MAOBTDP1MAOAMOGAT2
SCHEMBL7912105 0.97 TDP1 (0.34) HRH3MAOBTDP1MAOAMOGAT2
SCHEMBL7902063 0.93 MAOB (0.34) MAOBMAOA
SCHEMBL8741892 0.93 MAOB (0.34) MAOBMAOA
SCHEMBL7915598 0.91 MAOB (0.34) MAOB
SCHEMBL7915593 0.91 MAOB (0.34) MAOB
SCHEMBL7730455 0.90 MAOB (0.34) HRH3MAOBMOGAT2
SCHEMBL7730450 0.90 MAOB (0.34) HRH3MAOBMOGAT2
SCHEMBL7722857 0.90 HRH3 (0.34) HRH3MAOBMAOAMOGAT2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0786509-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed