SCHEMBL3916403

SCHEMBL3916403

CN(CC(=O)O)S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCC(F)(F)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.59
CNR1 P21554 3/20 0.59
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3917970 0.90 CNR2 (0.57) CNR2CNR1KCNH2
SCHEMBL3930332 0.90 CNR2 (0.58) CNR2CNR1KCNH2
SCHEMBL589032 0.85 CNR2 (0.67) CNR2CNR1KCNH2
SCHEMBL4966435 0.84 CNR2 (0.62) CNR2CNR1KCNH2
SCHEMBL3915459 0.84 CNR2 (0.64) CNR2CNR1KCNH2
SCHEMBL585319 0.84 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL5181670 0.83 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL584061 0.83 CNR2 (0.64) CNR2CNR1KCNH2
SCHEMBL5181920 0.83 CNR2 (0.62) CNR2CNR1KCNH2
SCHEMBL3918179 0.83 CNR2 (0.57) CNR2CNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797078-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2009-04-01 EP claimed
EP-1797078-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033630-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2006-03-30 WO claimed
EP-1797078-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1797078-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033630-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2006-03-30 WO disclosed