SCHEMBL3380848

SCHEMBL3380848

O=S(=O)(c1cccc(N2CCCNCC2)c1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.64
HTR1A P08908 5/20 0.52
HTR7 P34969 5/20 0.52
HTR2A P28223 3/20 0.47
DRD2 P14416 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL3826873 0.79 HTR6 (1.00) HTR6HTR1AHTR7HTR2ADRD2
SCHEMBL3378968 0.77 HTR6 (0.62) HTR6CHRNB2CHRNA4
SCHEMBL23457079 0.76 HTR6 (0.66) HTR6DRD2THRB
SCHEMBL3380849 0.75 HTR7 (0.54) HTR6HTR1AHTR7CHRNB2CHRNA4
SCHEMBL5200506 0.73 PIM1 (0.47) HTR6HTR1AHTR7DRD2HTR2C
SCHEMBL30476655 0.73 ADRB1 (0.62) HTR6HTR1AHTR7HTR2ADRD2
SCHEMBL3377181 0.72 HTR6 (0.55) HTR6CHRNB2CHRNA4
SCHEMBL12719397 0.72 HTR6 (0.70) HTR6HTR1AHTR7HTR2ADRD2
SCHEMBL3454087 0.72 HTR6 (0.70) HTR6HTR1AHTR7HTR2ADRD2
SCHEMBL5202316 0.71 HTR6 (0.51) HTR6HTR1AHTR7DRD2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP claimed