SCHEMBL3922110

SCHEMBL3922110

O=C(O)N1CCN(c2cccc3c2cnn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.73
DRD2 P14416 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
SLC9A1 P19634 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4198608 0.86 HTR6 (0.64) HTR6DRD2HTR1AHTR2A
SCHEMBL1537850 0.84 HTR6 (1.00) HTR6DRD2HTR1AHTR2ADRD3
Hydrochloric Acid SCHEMBL1537868 0.83 HTR6 (0.98) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL1537818 0.82 HTR6 (0.75) HTR6DRD2DRD3
Hydrochloric Acid SCHEMBL1537836 0.81 HTR6 (0.74) HTR6DRD2DRD3
SCHEMBL1537832 0.81 HTR6 (0.80) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL1537835 0.80 HTR6 (0.79) HTR6DRD2CYP2C9
Hydrochloric Acid SCHEMBL1537834 0.79 HTR6 (0.77) HTR6DRD2CYP2C9
SCHEMBL27513834 0.79 HTR6 (0.83) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL1537833 0.78 HTR6 (0.76) HTR6DRD2

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
WO-2009006267-A2 N'-(2-HALOBENZYLIDENE)SULFONYLHYDRAZIDES AS INTERMEDIATES IN THE MANUFACTURE OF ARYLSULFONYLINDAZOLES WYETH (US) 2009-01-08 WO disclosed