SCHEMBL7731369

SCHEMBL7731369

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MAOA P21397 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL7731377 1.00 MAOB (0.32) MAOBHCRTR1HCRTR2FFAR4CYP3A4
SCHEMBL7722833 0.97 HRH3 (0.33) MAOBHCRTR1HCRTR2FFAR4MOGAT2
SCHEMBL7722836 0.97 HRH3 (0.33) MAOBHCRTR1HCRTR2FFAR4MOGAT2
SCHEMBL7729478 0.92 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4MAOA
SCHEMBL7729485 0.92 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4MAOA
SCHEMBL7733415 0.90 MAOB (0.33) MAOBCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL7733419 0.90 MAOB (0.33) MAOBCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL7723006 0.90 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4
SCHEMBL7723003 0.90 MAOB (0.33) MAOBHCRTR1HCRTR2FFAR4
SCHEMBL7733373 0.89 CYP3A4 (0.34) MAOBCYP3A4CYP2C8CYP2D6CYP2C9

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