SCHEMBL20117630

SCHEMBL20117630

CCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(OCC3CCC(C4CCC(C)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
SCN9A Q15858 3/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 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
SCHEMBL20111312 1.00 HPGD (0.34) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20102604 0.94 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL20102614 0.94 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL20111514 0.92 CYP1A2 (0.37) HPGD
SCHEMBL20117747 0.92 HPGD (0.36) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20117735 0.90 SCN9A (0.36) HPGDSCN9A
SCHEMBL20102546 0.90 PPARG (0.31) HPGDHTR2AHTR2CHTR2B
SCHEMBL20117676 0.89 HPGD (0.34) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20102396 0.87 HTR2A (0.32) HPGDHTR2AHTR2CHTR2B
SCHEMBL20102571 0.87 HTR2A (0.32) HTR2AHTR2CHTR2B

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