SCHEMBL4675335

SCHEMBL4675335

CN1CCN(c2cccc3[nH]c(S(=O)(=O)c4cccc(Cl)c4Cl)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.54
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
HRH4 Q9H3N8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
BCL2A1 Q16548 1/20 0.41
OPRL1 P41146 1/20 0.40
SGK1 O00141 1/20 0.39
GAA P10253 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
SCHEMBL4675814 0.88 HTR6 (0.70) HTR6DRD2DRD3HTR1ADRD4
SCHEMBL4675303 0.86 HTR6 (0.50) HTR6DRD2DRD3LMNAHRH4
SCHEMBL4675659 0.83 HTR6 (0.55) HTR6DRD2LMNAKMT2AHRH4
SCHEMBL5201209 0.83 HTR6 (0.78) HTR6DRD2DRD3LMNAKMT2A
SCHEMBL4675283 0.81 HTR6 (0.76) HTR6DRD2DRD3LMNAKMT2A
SCHEMBL4675570 0.73 HTR6 (0.71) HTR6LMNAALDH1A1HTR1AHTR2A
SCHEMBL4676720 0.71 HTR6 (0.71) HTR6LMNAALDH1A1HTR1AHTR2A
SCHEMBL7951102 0.70 HTR1A (0.49) HTR6DRD2DRD3HRH4ALDH1A1
SCHEMBL5204854 0.70 HTR6 (1.00) HTR6DRD2DRD3HTR1ADRD4
SCHEMBL3399254 0.69 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP claimed
EP-1542973-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP claimed
WO-2004026831-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7381739-B2 Antiserotonine agents; central nervous system disorders; Alzheimer's disease; Parkinson's disease; Huntington's disease; sleep disorders ROCHE PALO ALTO LLC (US) 2008-06-03 US disclosed
US-7381739-B2 Antiserotonine agents; central nervous system disorders; Alzheimer's disease; Parkinson's disease; Huntington's disease; sleep disorders ROCHE PALO ALTO LLC (US) 2008-06-03 US disclosed
EP-1542973-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
WO-2004026831-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed