SCHEMBL8726952

SCHEMBL8726952

CC(OC(=O)C1=CN(C)C=CC1)OC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.49
HRH1 P35367 4/20 0.44
HTR2A P28223 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
ADORA3 P0DMS8 3/20 0.44
CHRM1 P11229 3/20 0.44
DRD2 P14416 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
CHRM3 P20309 3/20 0.44
SLC6A2 P23975 3/20 0.44
HTR2C P28335 3/20 0.44
ADRA1A P35348 3/20 0.44
DRD3 P35462 3/20 0.44
OPRK1 P41145 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KCNH2 Q12809 3/20 0.44
SMPD1 P17405 3/20 0.44
CNR1 P21554 2/20 0.44

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
SCHEMBL8728501 0.85 SLC6A4 (0.51) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL9011097 0.84 SLC6A4 (0.56) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL8728526 0.78 SLC6A4 (0.50) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL8724668 0.77 SLC6A4 (0.61) SLC6A4HRH1HTR2ALMNAMAPT
Iodide SCHEMBL8726940 0.76 SLC6A4 (0.48) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL221187 0.74 SLC6A4 (0.68) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL220948 0.73 SLC6A4 (0.61) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL9879795 0.71 SLC6A4 (0.51) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL218473 0.70 SLC6A4 (0.66) SLC6A4HRH1HTR2ALMNAMAPT
SCHEMBL26967791 0.70 SLC6A4 (0.69) SLC6A4HRH1HTR2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US claimed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US claimed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US claimed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US claimed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP claimed
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5472954-A Combining cyclodextrin with polymer before adding active material CYCLOPS H.F. (IS) 1995-12-05 US disclosed
US-5324718-A Complexing with natural and synthetic polymers; high speed drug release CYCLOPS H.F. (IS) 1994-06-28 US disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP disclosed