SCHEMBL20117614

SCHEMBL20117614

CCOc1cc2c(c(F)c1F)-c1c-2ccc(OCC2CCC(C)OC2)c1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
GRM2 Q14416 2/20 0.31
FFAR1 O14842 2/20 0.31
FPR2 P25090 1/20 0.30
KDM1A O60341 2/20 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
SCHEMBL20117670 0.89 GRM2 (0.33) HTR2AHTR2CHTR2BGRM2
SCHEMBL20111311 0.87 HTR2A (0.34) HTR2AHTR2CHTR2BGRM2
SCHEMBL20111705 0.86 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL20111285 0.85 HPGD (0.36) FGFR2HTR2AHTR2CHTR2BPTGDR2
SCHEMBL20111270 0.85 HPGD (0.36) FGFR2HTR2AHTR2CHTR2BPTGDR2
SCHEMBL20117659 0.84 FGFR2 (0.30) FGFR2
SCHEMBL20102466 0.84 EPHX1 (0.30)
SCHEMBL20102467 0.84 PTGDR2 (0.37) PTGDR2FFAR1KDM1A
SCHEMBL20111299 0.83 BRD4 (0.35) FFAR1FPR2
SCHEMBL20102392 0.82 HTR2A (0.34) FGFR2HTR2AHTR2CHTR2BGRIN1

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-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed