SCHEMBL7729699

SCHEMBL7729699

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.33
MAOA P21397 1/20 0.32
TEAD1 P28347 2/20 0.30
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
SCHEMBL7729689 1.00 MAOB (0.33) MAOBMAOATEAD1HRH3
SCHEMBL7729693 1.00 MAOB (0.33) MAOBMAOATEAD1HRH3
SCHEMBL7729774 0.96 MAOB (0.35) MAOBMAOAHRH3
SCHEMBL7729770 0.96 MAOB (0.35) MAOBMAOAHRH3
SCHEMBL7729510 0.93 HRH3 (0.33) MAOBMAOAHRH3
SCHEMBL7729502 0.93 HRH3 (0.33) MAOBMAOAHRH3
SCHEMBL7729512 0.93 HRH3 (0.33) MAOBMAOAHRH3
SCHEMBL7730912 0.93 MAOB (0.33) MAOBMAOA
SCHEMBL7730903 0.93 MAOB (0.33) MAOBMAOA
SCHEMBL7730892 0.93 MAOB (0.33) 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 1 patent. 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