SCHEMBL19985294

SCHEMBL19985294

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.36
HTR2A P28223 7/20 0.36
HTR2B P41595 6/20 0.35
LTA4H P09960 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ADRB2 P07550 2/20 0.31
HTR1A P08908 2/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
SLC6A4 P31645 2/20 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
SCHEMBL19985308 0.99 HTR2C (0.36) HTR2CHTR2AHTR2BLTA4HMEN1
SCHEMBL19985303 0.99 HTR2C (0.36) HTR2CHTR2AHTR2BLTA4HMEN1
SCHEMBL19985293 0.99 HTR2C (0.36) HTR2CHTR2AHTR2BLTA4HMEN1
SCHEMBL19985272 0.97 HTR2C (0.37) HTR2CHTR2AHTR2BLTA4HMEN1
SCHEMBL19985605 0.93 HTR2C (0.36) HTR2CHTR2AHTR2BLTA4HMEN1
SCHEMBL8962924 0.92 HTR2C (0.32) HTR2CHTR2AHTR2BGAAMAPT
SCHEMBL8963378 0.92 HTR2C (0.32) HTR2CHTR2AHTR2BGAAMAPT
SCHEMBL8962834 0.92 HTR2C (0.32) HTR2CHTR2AHTR2BGAAMAPT
SCHEMBL19985282 0.92 HTR2C (0.38) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985625 0.92 HTR2C (0.35) HTR2CHTR2AHTR2BLTA4HMEN1

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