SCHEMBL5201506

SCHEMBL5201506

CN1CCN(c2cccc3cc(S(=O)(=O)c4cccc(Br)c4)[nH]c23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.47
HTR2A P28223 5/20 0.44
DRD3 P35462 4/20 0.39
DRD2 P14416 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HTR1A P08908 3/20 0.38
HTR2C P28335 3/20 0.38
DRD4 P21917 2/20 0.38
HTR7 P34969 2/20 0.38

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
SCHEMBL5201769 0.89 HTR6 (0.58) HTR6HTR2ADRD3DRD2HTR1A
SCHEMBL5202731 0.88 HTR6 (0.62) HTR6HTR2ADRD2HTR1AHTR7
SCHEMBL14445203 0.78 HTR6 (0.55) HTR6HTR2ADRD3DRD2HRH4
SCHEMBL5201209 0.77 HTR6 (0.78) HTR6HTR2ADRD3DRD2HRH4
SCHEMBL14395298 0.76 HTR6 (0.62) HTR6HTR2ADRD2HTR1AHTR7
SCHEMBL5202025 0.75 HTR6 (0.67) HTR6HTR2ADRD3DRD2HTR1A
SCHEMBL5201187 0.75 HTR6 (0.53) HTR6HTR2ADRD2HRH4HTR1A
SCHEMBL4675283 0.70 HTR6 (0.76) HTR6HTR2ADRD3DRD2HTR1A
SCHEMBL4678570 0.70 HTR6 (0.79) HTR6HTR2ADRD2HTR1AHTR7
SCHEMBL5201291 0.68 HTR6 (0.48) HTR6HTR2ADRD3HTR2C

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 15 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
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
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