SCHEMBL7729485

SCHEMBL7729485

CCCC1CCC(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 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GCGR P47871 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
MAOA P21397 1/20 0.32
KCNH2 Q12809 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL7729478 1.00 MAOB (0.33) MAOBHCRTR1HCRTR2GCGRFFAR4
SCHEMBL7722833 0.93 HRH3 (0.33) MAOBHCRTR1HCRTR2FFAR4MAOA
SCHEMBL7722836 0.93 HRH3 (0.33) MAOBHCRTR1HCRTR2FFAR4MAOA
SCHEMBL7723006 0.93 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4KCNH2
SCHEMBL7723003 0.93 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4KCNH2
SCHEMBL7731377 0.92 MAOB (0.32) MAOBHCRTR1HCRTR2FFAR4MAOA
SCHEMBL7731369 0.92 MAOB (0.32) MAOBHCRTR1HCRTR2FFAR4MAOA
SCHEMBL7729774 0.90 MAOB (0.35) MAOBGCGRMAOAKCNH2
SCHEMBL7729770 0.90 MAOB (0.35) MAOBGCGRMAOAKCNH2
SCHEMBL7729738 0.88 MAOB (0.32) MAOBMAOA

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-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed