SCHEMBL5201209

SCHEMBL5201209

CN1CCN(c2cccc3cc(S(=O)(=O)c4cccc(Cl)c4Cl)[nH]c23)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.78
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 3/20 0.41
HTR1A P08908 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2C P28335 1/20 0.41
BCL2A1 Q16548 1/20 0.41
AKR1B1 P15121 1/20 0.39
SGK1 O00141 1/20 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
SCHEMBL5204854 0.88 HTR6 (1.00) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL14445203 0.83 HTR6 (0.55) HTR6DRD2DRD3LMNAKMT2A
SCHEMBL4675335 0.83 HTR6 (0.54) HTR6DRD2DRD3LMNAKMT2A
SCHEMBL5201187 0.81 HTR6 (0.53) HTR6DRD2KMT2AHRH4HTR2A
SCHEMBL5201769 0.81 HTR6 (0.58) HTR6DRD2DRD3ALDH1A1HTR2A
SCHEMBL5201506 0.77 HTR6 (0.47) HTR6DRD2DRD3HRH4HTR2A
Hydrochloric Acid SCHEMBL10774270 0.72 HRH4 (0.55) HTR6DRD2DRD3HRH4ALDH1A1
SCHEMBL5201888 0.71 HTR6 (0.71) HTR6DRD2LMNAHRH4ALDH1A1
SCHEMBL4675814 0.70 HTR6 (0.70) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL3399254 0.69 DRD2 (1.00) DRD2DRD3HTR2AHTR1ADRD4

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 13 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
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
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
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
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