SCHEMBL5201291

SCHEMBL5201291

CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccc4)[nH]c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.48
HTR2A P28223 2/20 0.47
HTR2B P41595 1/20 0.47
DRD3 P35462 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 2/20 0.39

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
SCHEMBL5202052 0.84 HTR6 (0.53) HTR6HTR2C
SCHEMBL5201769 0.79 HTR6 (0.58) HTR6HTR2AHTR2BDRD3HTR2C
SCHEMBL16135208 0.72 HTR1F (0.59) HTR6HTR2AHTR2BDRD3
SCHEMBL5242372 0.70 CA12 (0.44) HTR6
SCHEMBL5202025 0.70 HTR6 (0.67) HTR6HTR2ADRD3
SCHEMBL5201804 0.69 HTR6 (0.56) HTR6HTR2AHTR2BDRD3HRH3
SCHEMBL5201506 0.68 HTR6 (0.47) HTR6HTR2ADRD3HTR2C
SCHEMBL4629453 0.67 JAK1 (0.41) HTR6HTR2AHRH3
SCHEMBL7256238 0.66 DRD2 (0.69) HTR6HTR2AHTR2BHRH3HTR2C
SCHEMBL5205456 0.65 HTR6 (0.62) HTR6HTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 EP claimed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP claimed
CN-1314669-C 2,7-substituted indoles and their use as 5-HT6 modulators HOFFMANN LA ROCHE (CH) 2007-05-09 CN claimed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 EP claimed
CN-1681782-A 2, 7-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2005-10-12 CN claimed
WO-2004026830-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 EP disclosed
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 EP disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP disclosed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP disclosed
CN-1314669-C 2,7-substituted indoles and their use as 5-HT6 modulators HOFFMANN LA ROCHE (CH) 2007-05-09 CN disclosed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 EP disclosed
CN-1681782-A 2, 7-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
WO-2004026830-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed