SCHEMBL19985282

SCHEMBL19985282

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.38
HTR2A P28223 8/20 0.38
HTR2B P41595 6/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
ADRB2 P07550 2/20 0.32
HTR1A P08908 2/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2A P08913 2/20 0.32
DRD2 P14416 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
DRD4 P21917 2/20 0.32
HRH2 P25021 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR7 P34969 2/20 0.32
DRD3 P35462 2/20 0.32
HTR6 P50406 2/20 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
SCHEMBL19985272 0.93 HTR2C (0.37) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985294 0.92 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985593 0.92 HTR2C (0.38) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985308 0.91 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985293 0.91 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985303 0.91 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985274 0.91 HTR2C (0.40) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL4404573 0.89 ALDH1A1 (0.31) ALDH1A1HTTCYP2C9MAPT
SCHEMBL4402626 0.89 ALDH1A1 (0.31) ALDH1A1HTTCYP2C9MAPT
SCHEMBL19985271 0.88 CYP2C9 (0.32) MEN1KMT2AALDH1A1HTR1AHTT

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