SCHEMBL8939143

SCHEMBL8939143

C=CC1CC=C(c2ccc(-c3ccc(-c4ccc(OCCCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.34

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
SCHEMBL8939111 0.99 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1
SCHEMBL8939132 0.99 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1
SCHEMBL8939095 0.99 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1
SCHEMBL8939160 0.99 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1
SCHEMBL8939085 0.97 CNR2 (0.36) GABRA1GABRB2CNR2CNR1
SCHEMBL13922360 0.96 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1
SCHEMBL13922362 0.95 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1
SCHEMBL13922361 0.95 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1
SCHEMBL8939082 0.94 GABRA1 (0.39) GABRA1GABRB2CNR2
SCHEMBL13922359 0.92 CNR2 (0.34) GABRA1GABRB2CNR2CNR1

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