SCHEMBL10691162

SCHEMBL10691162

CCn1cc(CCN(C)C)c2cc(CCS(N)(=O)=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.57
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HDAC1 Q13547 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL9800371 0.89 HTR6 (0.44) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL10687919 0.86 HTR6 (0.63) HTR6
SCHEMBL9800355 0.86 HTR6 (0.55) HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL9800379 0.85 HTR6 (0.54) HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL9800411 0.84 HTR6 (0.53) HTR6HTR2AHTR2C
SCHEMBL10695378 0.83 HTR6 (0.58) HTR6
SCHEMBL10690634 0.81 HTR6 (0.59) HTR6
SCHEMBL9687324 0.81 HTR1A (0.57) HTR6HTR2AHTR2CHDAC1HDAC10
Hydrochloric Acid SCHEMBL9687692 0.80 HTR1A (0.56) HTR6HTR2AHTR2CHDAC1HDAC10
SCHEMBL10690810 0.79 HTR6 (0.44) HTR6HTR2A

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