SCHEMBL3380849

SCHEMBL3380849

O=S(=O)(c1cc(N2CCCNCC2)ccc1-c1ccccn1)c1cc(N2CCCNCC2)ccc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.54
HTR1A P08908 2/20 0.54
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
HTR6 P50406 11/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PLD1 Q13393 1/20 0.42
HTR2B P41595 1/20 0.41

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
SCHEMBL7863591 0.80 HTR7 (0.64) HTR7HTR1APIM1PIM3CHRNB2
SCHEMBL3380848 0.75 HTR6 (0.64) HTR7HTR1AHTR6CHRNB2CHRNA4
SCHEMBL6351377 0.72 HTR1A (0.64) HTR7HTR1APIM1PIM3CHRNB2
SCHEMBL15264546 0.72 HTR7 (0.48) HTR7HTR1APIM1PIM3CHRNB2
SCHEMBL21268795 0.71 HTR7 (0.71) HTR7HTR1APIM1PIM3HTR6
SCHEMBL9690192 0.70 HTR7 (0.65) HTR7HTR1APIM1PIM3CHRNB2
SCHEMBL6743672 0.69 HTR6 (0.90) HTR6
Hydrochloric Acid SCHEMBL26136373 0.69 HTR7 (0.59) HTR7HTR1APIM1PIM3CHRNB2
SCHEMBL5526744 0.69 HTR7 (1.00) HTR7HTR1APIM1PIM3HTR6
SCHEMBL3378968 0.68 HTR6 (0.62) HTR6CHRNB2CHRNA4

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