SCHEMBL10690634

SCHEMBL10690634

CN(C)CCc1cn(-c2ccccc2)c2ccc(CCS(N)(=O)=O)cc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.59
SCN9A Q15858 2/20 0.54
PLA2G4A P47712 14/20 0.54
HTR7 P34969 1/20 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
SCHEMBL10687919 0.83 HTR6 (0.63) HTR6PLA2G4AHTR7
SCHEMBL9800355 0.83 HTR6 (0.55) HTR6HTR7
Hydrochloric Acid SCHEMBL9800379 0.82 HTR6 (0.54) HTR6HTR7
SCHEMBL10691162 0.81 HTR6 (0.57) HTR6
Hydrochloric Acid SCHEMBL9800411 0.81 HTR6 (0.53) HTR6HTR7
SCHEMBL10695378 0.80 HTR6 (0.58) HTR6SCN9AHTR7
SCHEMBL9800371 0.79 HTR6 (0.44) HTR6HTR7
SCHEMBL10690810 0.77 HTR6 (0.44) HTR6HTR7
SCHEMBL10691119 0.76 HTR6 (0.53) HTR6HTR7
SCHEMBL10494731 0.76 PLA2G4A (0.53) SCN9APLA2G4A

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