SCHEMBL6189625

SCHEMBL6189625

COc1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cc1N1CCNCC1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.78
HTR1A P08908 1/20 0.78
DRD2 P14416 1/20 0.78
HTR1D P28221 1/20 0.78
HTR1B P28222 1/20 0.78
HTR2C P28335 1/20 0.78
HTR7 P34969 1/20 0.78
ADRA1B P35368 1/20 0.78
DRD3 P35462 1/20 0.78
HTR2B P41595 1/20 0.78
HTR4 Q13639 1/20 0.78
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
HTR3A P46098 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
CYP3A4 P08684 1/20 0.57

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
SCHEMBL6185776 0.88 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6187310 0.87 HTR6 (0.98) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6186496 0.85 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6185518 0.82 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6186019 0.82 HTR6 (0.72) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6188240 0.82 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6189857 0.81 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6188510 0.81 HTR6 (0.98) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6187722 0.81 HTR6 (0.70) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6190373 0.81 HTR6 (0.98) HTR6HTR1ADRD2HTR1DHTR1B

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
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed