SCHEMBL10690810

SCHEMBL10690810

CN(C)CCc1cn(C2CCCC2)c2ccc(CCS(N)(=O)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.44
HTR1A P08908 4/20 0.39
LMNA P02545 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
DRD2 P14416 2/20 0.37
HTR1F P30939 2/20 0.37
HTR7 P34969 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1E P28566 1/20 0.37

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
SCHEMBL9800355 0.81 HTR6 (0.55) HTR6HTR1AHTR2AHTR2BHTR1D
Hydrochloric Acid SCHEMBL9800379 0.80 HTR6 (0.54) HTR6HTR1AHTR2AHTR2BHTR1D
Hydrochloric Acid SCHEMBL9800411 0.79 HTR6 (0.53) HTR6HTR1AHTR2AHTR2BHTR1D
SCHEMBL10691162 0.79 HTR6 (0.57) HTR6HTR2A
SCHEMBL10695378 0.78 HTR6 (0.58) HTR6HTR1AHTR1DHTR1BDRD2
SCHEMBL9800371 0.78 HTR6 (0.44) HTR6HTR1AHTR1DHTR1BDRD2
SCHEMBL10690634 0.77 HTR6 (0.59) HTR6HTR7
SCHEMBL10494786 0.76 OPRM1 (0.39) HTR6HTR2AHTR1D
SCHEMBL10687919 0.75 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BDRD2
SCHEMBL10691119 0.75 HTR6 (0.53) HTR6HTR1AHTR2AHTR2BHTR1D

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-4785016-A VASOCONSTRICTION, MIGRAINES ALKANEAMINO, ALKANE SULFONAMIDE INDOLES GLAXO GROUP LIMITED (GB) 1988-11-15 US disclosed