SCHEMBL19985272

SCHEMBL19985272

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.37
HTR2A P28223 8/20 0.37
HTR2B P41595 6/20 0.36
MEN1 O00255 2/20 0.32
CYP2D6 P10635 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 2/20 0.31
HTR1A P08908 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
SCHEMBL19985294 0.97 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL19985293 0.96 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL19985303 0.96 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL19985308 0.96 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL19985282 0.93 HTR2C (0.38) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL8962413 0.93 HTR2C (0.33) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL19985603 0.92 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL8935162 0.89 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1CYP2D6
SCHEMBL8963378 0.89 HTR2C (0.32) HTR2CHTR2AHTR2BGAAMAPT
SCHEMBL8962834 0.89 HTR2C (0.32) HTR2CHTR2AHTR2BGAAMAPT

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