SCHEMBL7433712

SCHEMBL7433712

NC(Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)OC(=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.58
DRD2 P14416 2/20 0.50
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1F P30939 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
IDE P14735 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7441106 0.87 HTR6 (0.48) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL7433688 0.87 HTR6 (0.58) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL7436733 0.85 HTR6 (0.57) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL7430619 0.83 HTR6 (0.60) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL8689013 0.79 HTR6 (0.68) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL7443109 0.78 HTR6 (0.61) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL946691 0.76 HTR6 (0.75) HTR6DRD2HTR1AHTR1DHTR1B
Oxalic Acid SCHEMBL7433702 0.76 HTR6 (0.90) HTR6DRD2HTR1AHTR1DHTR1B
SCHEMBL838015 0.75 HTR6 (0.64) HTR6IDE
SCHEMBL838017 0.75 HTR6 (0.64) HTR6IDE

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
US-6187805-B1 TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE MERCK SHARP & DOHME LTD. (GB) 2001-02-13 US disclosed