SCHEMBL19985593

SCHEMBL19985593

C=CCOc1ccc(-c2ccc(C3CCC(CCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.38
HTR2A P28223 7/20 0.38
HTR2B P41595 6/20 0.37
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HTR1A P08908 3/20 0.32
ADRB2 P07550 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

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
SCHEMBL19985603 0.93 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985605 0.92 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985282 0.92 HTR2C (0.38) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985612 0.91 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985620 0.91 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985625 0.91 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985588 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985595 0.89 GABRA1 (0.31) ALDH1A1HTTCYP2C9MAPT
SCHEMBL19985597 0.89 HTR1A (0.32) MEN1KMT2AALDH1A1CTSLCTSS
SCHEMBL8935162 0.88 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A

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