SCHEMBL14765755

SCHEMBL14765755

C=CCCOc1ccc(C2CCC(c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR2 P34972 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HCRTR2 O43614 1/20 0.30
LSS P48449 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
SCHEMBL14765676 0.97 SCN9A (0.34) SCN9AGABRA1GABRB2CNR2HTR1D
SCHEMBL14765964 0.94 SCN9A (0.33) SCN9ACNR2
SCHEMBL14766808 0.94 SCN9A (0.33) SCN9ACNR2
SCHEMBL14766254 0.93 SCN9A (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766854 0.93 SCN9A (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14765673 0.92 GABRA1 (0.33) SCN9AGABRA1GABRB2HCRTR2
SCHEMBL14766530 0.91 CNR2 (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766689 0.91 CNR2 (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766048 0.90 SCN9A (0.36) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766717 0.90 GABRA1 (0.32) SCN9AGABRA1GABRB2CNR2

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-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed