SCHEMBL9150818

SCHEMBL9150818

CCCCC1COC(c2ccc(F)c(F)c2)OC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KDM1A O60341 3/20 0.32
DRD3 P35462 2/20 0.32
SLC10A2 Q12908 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MAOB P27338 1/20 0.31
EDNRB P24530 1/20 0.31
ABCC9 O60706 2/20 0.30
KCNJ11 Q14654 2/20 0.30

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
SCHEMBL8997261 0.96 ALDH1A1 (0.35) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9785318 0.96 ALDH1A1 (0.35) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9785326 0.96 ALDH1A1 (0.35) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9556193 0.95 CYP1A2 (0.33) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9556187 0.95 CYP1A2 (0.33) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9150002 0.94 ALDH1A1 (0.38) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9151308 0.94 ALDH1A1 (0.38) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL9150714 0.94 ALDH1A1 (0.38) HTR2AHTR2CHTR2BKDM1ADRD3
SCHEMBL7782307 0.93 HTR2A (0.34) HTR2AHTR2CHTR2BKDM1AIDO1
SCHEMBL7782303 0.93 HTR2A (0.34) HTR2AHTR2CHTR2BKDM1AIDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395220-B1 1,3-dioxane derivative SEIKO EPSON CORP (JP) 1995-01-18 EP claimed
EP-0395220-A2 1,3-dioxane derivative SEIKO EPSON CORPORATION (JP) 1990-10-31 EP claimed
EP-0395220-B1 1,3-dioxane derivative SEIKO EPSON CORP (JP) 1995-01-18 EP disclosed
US-5026879-A Liquid crystals having low threshold voltage, and wide visual angle; used in electro-optical displays SEIKO EPSON CORPORATION (JP) 1991-06-25 US disclosed
EP-0395220-A2 1,3-dioxane derivative SEIKO EPSON CORPORATION (JP) 1990-10-31 EP disclosed