SCHEMBL7733566

SCHEMBL7733566

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
HRH3 Q9Y5N1 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAOA P21397 1/20 0.32
DPP4 P27487 2/20 0.31
ALOX5 P09917 2/20 0.30
KMT2A Q03164 1/20 0.30
PTGES O14684 1/20 0.30
PPARG P37231 1/20 0.30
PSEN1 P49768 1/20 0.30
MOGAT2 Q3SYC2 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
SCHEMBL7733568 1.00 MAOB (0.35) MAOBHRH3GPR84MAOADPP4
SCHEMBL7730602 0.97 MAOB (0.34) MAOBHRH3GPR84MAOAALOX5
SCHEMBL7730609 0.97 MAOB (0.34) MAOBHRH3GPR84MAOAALOX5
SCHEMBL7722938 0.93 MAOB (0.36) MAOBHRH3GPR84MAOA
SCHEMBL7722941 0.93 MAOB (0.36) MAOBHRH3GPR84MAOA
SCHEMBL7722857 0.91 HRH3 (0.34) MAOBHRH3GPR84MAOADPP4
SCHEMBL7722855 0.91 HRH3 (0.34) MAOBHRH3GPR84MAOADPP4
SCHEMBL7730891 0.91 MAOB (0.36) MAOBGPR84MAOA
SCHEMBL7730897 0.91 MAOB (0.36) MAOBGPR84MAOA
SCHEMBL7729512 0.88 HRH3 (0.33) MAOBHRH3GPR84MAOAKMT2A

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-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed