SCHEMBL4413035

SCHEMBL4413035

Cc1c(S(=O)(=O)n2ccc3c4c(ccc32)OCCN(C)C4S(=O)(=O)Cl)sc2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.51
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 3/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
HTR1F P30939 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL4413032 0.82 HTR6 (0.55) HTR6NPSR1L3MBTL1DRD2HTR2A
SCHEMBL1992946 0.81 HTR6 (0.56) HTR6NPSR1L3MBTL1DRD2HTR2A
SCHEMBL4412449 0.74 HTR6 (0.47) HTR6DRD2DRD3
SCHEMBL4413034 0.70 HTR6 (0.43) HTR6NPSR1L3MBTL1DRD2HTR2A
SCHEMBL1537914 0.68 HTR6 (1.00) HTR6DRD2HTR2AHTR7HTR1A
Hydrochloric Acid SCHEMBL4311628 0.67 HTR6 (0.98) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL4308390 0.67 HTR6 (0.70) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL4312664 0.66 HTR6 (0.69) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL4075335 0.66 HTR6 (0.58) HTR6
SCHEMBL4315994 0.65 HTR6 (0.71) HTR6DRD2HTR2AHTR7HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed