SCHEMBL7729774

SCHEMBL7729774

CCCC1CCC(CCc2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
GPR84 Q9NQS5 1/20 0.30
GCGR P47871 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
KCNH2 Q12809 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
SCHEMBL7729770 1.00 MAOB (0.35) MAOBMAOAHRH3GPR84GCGR
SCHEMBL7729693 0.96 MAOB (0.33) MAOBMAOAHRH3
SCHEMBL7729699 0.96 MAOB (0.33) MAOBMAOAHRH3
SCHEMBL7729689 0.96 MAOB (0.33) MAOBMAOAHRH3
SCHEMBL7722857 0.93 HRH3 (0.34) MAOBMAOAHRH3GPR84
SCHEMBL7722855 0.93 HRH3 (0.34) MAOBMAOAHRH3GPR84
SCHEMBL7731617 0.93 MAOB (0.35) MAOBMAOAGPR84KCNH2
SCHEMBL7731613 0.93 MAOB (0.35) MAOBMAOAGPR84KCNH2
SCHEMBL7733419 0.92 MAOB (0.33) MAOBMAOAHRH3
SCHEMBL7733415 0.92 MAOB (0.33) MAOBMAOAHRH3

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 6 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-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 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-0786509-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