SCHEMBL7729510

SCHEMBL7729510

CCCCC1CCC(C2CCC(CCc3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
KMT2A Q03164 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
SCHEMBL7729502 1.00 HRH3 (0.33) HRH3MAOBMAOAGPR84KMT2A
SCHEMBL7729512 1.00 HRH3 (0.33) HRH3MAOBMAOAGPR84KMT2A
SCHEMBL7732793 0.97 MAOB (0.32) HRH3MAOBMAOA
SCHEMBL7732797 0.97 MAOB (0.32) HRH3MAOBMAOA
SCHEMBL7732781 0.97 MAOB (0.32) HRH3MAOBMAOA
SCHEMBL7722857 0.97 HRH3 (0.34) HRH3MAOBMAOAGPR84KMT2A
SCHEMBL7722855 0.97 HRH3 (0.34) HRH3MAOBMAOAGPR84KMT2A
SCHEMBL7729699 0.93 MAOB (0.33) HRH3MAOBMAOA
SCHEMBL7733419 0.93 MAOB (0.33) HRH3MAOBMAOA
SCHEMBL7729689 0.93 MAOB (0.33) HRH3MAOBMAOA

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