SCHEMBL9214511

SCHEMBL9214511

CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.73
HTR1A P08908 6/20 0.73
HTR1B P28222 4/20 0.73
HTR6 P50406 7/20 0.57
MPO P05164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.50

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
SCHEMBL9218246 0.90 HTR1A (0.69) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL9218968 0.85 HTR1D (0.77) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL9278912 0.84 HTR1D (1.00) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL9210881 0.83 HTR1D (0.65) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL8892112 0.79 HTR1A (1.00) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL29400537 0.79 HTR1A (1.00) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL23083090 0.77 HTR1D (0.77) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL30630375 0.77 HTR1D (0.77) HTR1DHTR1AHTR1BHTR6MPO
SCHEMBL9214509 0.77 HTR1D (0.43) HTR1DHTR1AHTR1BALDH1A1GAA
SCHEMBL27085184 0.75 HTR1A (0.70) HTR1DHTR1AHTR1BHTR6MPO

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
WO-1995000478-A1 ARYLTRIFLATES AND RELATED COMPOUNDS LUNDBECK & CO AS H (DK) 1995-01-05 WO disclosed