SCHEMBL7722938

SCHEMBL7722938

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.36
MAOA P21397 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
GCGR P47871 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL7722941 1.00 MAOB (0.36) MAOBMAOAGPR84OPRM1OPRK1
SCHEMBL7733566 0.93 MAOB (0.35) MAOBMAOAGPR84HRH3
SCHEMBL7733568 0.93 MAOB (0.35) MAOBMAOAGPR84HRH3
SCHEMBL7730897 0.93 MAOB (0.36) MAOBMAOAGPR84TAAR1
SCHEMBL7730891 0.93 MAOB (0.36) MAOBMAOAGPR84TAAR1
SCHEMBL7730602 0.92 MAOB (0.34) MAOBMAOAGPR84HRH3
SCHEMBL7730609 0.92 MAOB (0.34) MAOBMAOAGPR84HRH3
SCHEMBL7729774 0.91 MAOB (0.35) MAOBMAOAGPR84OPRM1OPRK1
SCHEMBL7729770 0.91 MAOB (0.35) MAOBMAOAGPR84OPRM1OPRK1
SCHEMBL7729485 0.87 MAOB (0.33) MAOBMAOAGCGR

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