SCHEMBL5201187

SCHEMBL5201187

CN1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.53
HRH4 Q9H3N8 2/20 0.46
HSD11B1 P28845 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RBP4 P02753 2/20 0.38
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 0.38
HTR2B P41595 1/20 0.38
BRD4 O60885 1/20 0.38
GFER P55789 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL5201594 0.88 HTR6 (0.67) HTR6MEN1KMT2AHTR2ACYP1A2
SCHEMBL14445203 0.86 HTR6 (0.55) HTR6HRH4KMT2AHTR2ADRD2
SCHEMBL5201769 0.81 HTR6 (0.58) HTR6HTR2ADRD2HTR7HTR2B
SCHEMBL5201209 0.81 HTR6 (0.78) HTR6HRH4KMT2AHTR2ADRD2
SCHEMBL5202253 0.78 HTR6 (0.69) HTR6HSD11B1MEN1KMT2AHTR2A
SCHEMBL5072343 0.76 HTR6 (0.66) HTR6HSD11B1HTR2ACYP1A2CYP2C19
SCHEMBL5201506 0.75 HTR6 (0.47) HTR6HRH4HTR2ADRD2HTR7
Hydrochloric Acid SCHEMBL10776394 0.74 HRH4 (0.58) HTR6HRH4MEN1KMT2AHTR2A
SCHEMBL5201888 0.74 HTR6 (0.71) HTR6HRH4HTR2ACYP1A2DRD2
SCHEMBL4675523 0.72 HTR6 (0.67) HTR6MEN1KMT2AHTR2ACYP1A2

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 14 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
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