SCHEMBL6142071

SCHEMBL6142071

C=CCC[C@H]1CC[C@H](CCc2ccc(-c3cc(F)c(C#Cc4ccc(CCC)cc4)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACACB O00763 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6142020 0.92 ACACB (0.32) ACACB
SCHEMBL6142054 0.92 MAOB (0.36) MAOBGPR84HRH3
SCHEMBL6142032 0.89 MAOB (0.43) MAOAMAOBACACBGPR84HRH3
SCHEMBL7851928 0.87 ACACB (0.34) MAOAMAOBACACB
SCHEMBL6142325 0.86 ACACB (0.34) ACACB
SCHEMBL7857840 0.86 ACACB (0.34) ACACB
SCHEMBL6142085 0.86 MAOB (0.46) MAOAMAOBACACBGPR84
SCHEMBL6142221 0.86 ACACB (0.33) MAOAMAOBACACB
SCHEMBL6142119 0.84 ACACB (0.32) MAOAMAOBACACB
SCHEMBL6142065 0.84 ACACB (0.33) ACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP disclosed
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed