SCHEMBL20117626

SCHEMBL20117626

CCCC1CCC(COc2cc3c(c(F)c2F)-c2c-3ccc(OCC)c2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
RIPK1 Q13546 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRD4 O60885 3/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL20102392 0.92 HTR2A (0.34) KDM1AHTR2AHTR2CHTR2BRIPK1
SCHEMBL20102462 0.88 HTR2C (0.32) KDM1AHTR2AHTR2CHTR2BRIPK1
SCHEMBL20111289 0.86 SLC6A4 (0.35) HTR2AHTR2CHTR2B
SCHEMBL20102396 0.84 HTR2A (0.32) KDM1AHTR2AHTR2CHTR2BRIPK1
SCHEMBL20102571 0.84 HTR2A (0.32) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL20102463 0.84 GRM2 (0.32)
SCHEMBL20102456 0.84 RIPK1 (0.35) HTR2AHTR2CHTR2BRIPK1KCNH2
SCHEMBL20102519 0.83 HTR2A (0.34) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL20102467 0.82 PTGDR2 (0.37) KDM1APTGDR2
SCHEMBL20102574 0.82 HTR2A (0.31) HTR2AHTR2CHTR2BRIPK1

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