SCHEMBL7723006

SCHEMBL7723006

CC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7723003 1.00 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4KCNH2
SCHEMBL7729478 0.93 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4KCNH2
SCHEMBL7729485 0.93 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4KCNH2
SCHEMBL7722836 0.91 HRH3 (0.33) MAOBHCRTR1HCRTR2FFAR4
SCHEMBL7722833 0.91 HRH3 (0.33) MAOBHCRTR1HCRTR2FFAR4
SCHEMBL7731369 0.90 MAOB (0.32) MAOBHCRTR1HCRTR2FFAR4
SCHEMBL7731377 0.90 MAOB (0.32) MAOBHCRTR1HCRTR2FFAR4
SCHEMBL7731613 0.90 MAOB (0.35) MAOBKCNH2
SCHEMBL7731617 0.90 MAOB (0.35) MAOBKCNH2
SCHEMBL7732280 0.88 MAOB (0.32) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed