SCHEMBL8968020

SCHEMBL8968020

C=CC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OCCCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL8967999 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8968033 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8968014 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8968119 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8968003 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL13922599 0.96 CNR2 (0.31) CNR2GABRA1GABRB2
SCHEMBL13922474 0.96 CNR2 (0.31) CNR2GABRA1GABRB2
SCHEMBL8967904 0.95 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL13922477 0.93 GABRA1 (0.32) CNR2GABRA1GABRB2
SCHEMBL13922600 0.93 GABRA1 (0.32) CNR2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed