SCHEMBL7730404

SCHEMBL7730404

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.33
MAOA P21397 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AOC3 Q16853 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
SCHEMBL7730405 1.00 MAOB (0.33) MAOBMAOAHRH3AOC3
SCHEMBL7731526 0.97 MAOB (0.33) MAOBMAOA
SCHEMBL7731531 0.97 MAOB (0.33) MAOBMAOA
SCHEMBL7729176 0.94 MAOB (0.34) MAOBMAOAAOC3
SCHEMBL7729172 0.94 MAOB (0.34) MAOBMAOAAOC3
SCHEMBL7730431 0.92 MAOB (0.34) MAOBMAOAAOC3
SCHEMBL7730425 0.92 MAOB (0.34) MAOBMAOAAOC3
SCHEMBL7722857 0.88 HRH3 (0.34) MAOBMAOAHRH3
SCHEMBL7722855 0.88 HRH3 (0.34) MAOBMAOAHRH3
SCHEMBL7731480 0.88 TRPV4 (0.34) MAOBMAOAHRH3AOC3

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