SCHEMBL9011253

SCHEMBL9011253

CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.56
HRH1 P35367 5/20 0.54
MAPT P10636 4/20 0.54
CHRM1 P11229 4/20 0.54
DRD2 P14416 4/20 0.54
ADRA2B P18089 4/20 0.54
ADRA2C P18825 4/20 0.54
CHRM3 P20309 4/20 0.54
SLC6A2 P23975 4/20 0.54
HTR2A P28223 4/20 0.54
HTR2C P28335 4/20 0.54
ADRA1A P35348 4/20 0.54
DRD3 P35462 4/20 0.54
OPRK1 P41145 4/20 0.54
SLC6A3 Q01959 4/20 0.54
KCNH2 Q12809 4/20 0.54
LMNA P02545 3/20 0.54
ADORA3 P0DMS8 3/20 0.54
SLC22A1 O15245 3/20 0.54
CHRM2 P08172 3/20 0.54

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
SCHEMBL8728836 0.86 SLC6A4 (0.52) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL8728526 0.82 SLC6A4 (0.50) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL26967791 0.78 SLC6A4 (0.69) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL9763463 0.76 HTT (0.56) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL9490693 0.75 SLC6A4 (0.72) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL221187 0.75 SLC6A4 (0.68) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL13040622 0.74 SLC6A4 (0.63) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL218473 0.74 SLC6A4 (0.66) SLC6A4HRH1MAPTCHRM1DRD2
SCHEMBL9011097 0.73 SLC6A4 (0.56) SLC6A4HRH1MAPTCHRM1DRD2
Imipramine SCHEMBL20644144 0.73 SLC6A4 (0.83) SLC6A4HRH1MAPTCHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed