SCHEMBL6187548

SCHEMBL6187548

COc1ccc(S(=O)(=O)N2CCCc3ccc(C(F)(F)F)cc32)cc1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.61
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
HTR4 Q13639 1/20 0.53
KMT2A Q03164 1/20 0.48
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
CPT1B Q92523 1/20 0.48
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL6187853 0.94 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6186142 0.93 HTR6 (0.60) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6186114 0.91 HTR6 (0.75) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6186554 0.90 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6186417 0.86 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6188197 0.85 HTR6 (0.60) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6187575 0.84 KMT2A (0.67) HTR6KMT2A
SCHEMBL6186532 0.81 HTR6 (0.64) HTR6KMT2A
SCHEMBL6187429 0.80 HTR6 (0.65) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL12969072 0.80 HTR6 (0.58) 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 9 patents. 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
CN-1087294-C Novel compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 CN claimed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US claimed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP claimed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO claimed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US disclosed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP disclosed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO disclosed