SCHEMBL19985274

SCHEMBL19985274

C=CCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.40
HTR2A P28223 9/20 0.40
HTR2B P41595 6/20 0.39
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
ADRB2 P07550 2/20 0.33
HTR1A P08908 2/20 0.33
CHRM5 P08912 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
HRH2 P25021 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR7 P34969 2/20 0.33
DRD3 P35462 2/20 0.33
HTR6 P50406 2/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8962246 0.92 HTR2C (0.35) HTR2CHTR2AHTR2BLMNAMEN1
SCHEMBL19985588 0.92 HTR2C (0.39) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL19985282 0.91 HTR2C (0.38) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL8935065 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL19985272 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL19985280 0.88
SCHEMBL12140870 0.88 HTR2C (0.40) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL19985294 0.88 HTR2C (0.36) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL5849019 0.87 KDM1A (0.34)
SCHEMBL9631105 0.87 KDM1A (0.34)

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
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed