SCHEMBL9879795

SCHEMBL9879795

COC(=O)C1=C(OC(=O)N(C)CCCN2c3ccccc3CCc3ccccc32)N(C)C=CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.51
HRH1 P35367 5/20 0.46
HTR2A P28223 5/20 0.46
SLC6A2 P23975 5/20 0.46
CHRM1 P11229 4/20 0.46
DRD2 P14416 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
CHRM3 P20309 4/20 0.46
HTR2C P28335 4/20 0.46
ADRA1A P35348 4/20 0.46
DRD3 P35462 4/20 0.46
OPRK1 P41145 4/20 0.46
SLC6A3 Q01959 4/20 0.46
KCNH2 Q12809 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
SMPD1 P17405 3/20 0.46
SLC22A1 O15245 3/20 0.46

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
SCHEMBL221187 0.82 SLC6A4 (0.68) SLC6A4HRH1HTR2ASLC6A2CHRM1
Iodide SCHEMBL10598664 0.75 SLC6A4 (0.52) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL8728501 0.72 SLC6A4 (0.51) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL218473 0.71 SLC6A4 (0.66) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL26967791 0.71 SLC6A4 (0.69) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL9011097 0.71 SLC6A4 (0.56) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL8726952 0.71 SLC6A4 (0.49) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL29843225 0.71 SLC6A4 (0.61) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL220948 0.71 SLC6A4 (0.61) SLC6A4HRH1HTR2ASLC6A2CHRM1
SCHEMBL8724668 0.71 SLC6A4 (0.61) SLC6A4HRH1HTR2ASLC6A2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US claimed