SCHEMBL8728763

SCHEMBL8728763

CCC[C@H]1CC[C@H](C2CCC(C3CCC(CCc4ccc(CCF)cc4)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
MAOA P21397 1/20 0.42
TLR4 O00206 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL8728768 1.00 MAOB (0.42) MAOBMAOATLR4HRH3KCNH2
SCHEMBL8728765 1.00 MAOB (0.42) MAOBMAOATLR4HRH3KCNH2
SCHEMBL8728770 1.00 MAOB (0.42) MAOBMAOATLR4HRH3KCNH2
SCHEMBL7913025 0.90 HRH3 (0.41) MAOBMAOAHRH3KCNH2
SCHEMBL7913021 0.90 HRH3 (0.41) MAOBMAOAHRH3KCNH2
SCHEMBL7913024 0.90 HRH3 (0.41) MAOBMAOAHRH3KCNH2
SCHEMBL7916332 0.90 MAOB (0.42) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7916336 0.90 MAOB (0.42) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7912778 0.90 MAOB (0.39) MAOBMAOAKCNH2GPR84
SCHEMBL7912784 0.90 MAOB (0.39) MAOBMAOAKCNH2GPR84

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-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed