SCHEMBL4289581

SCHEMBL4289581

CC(C)(C)c1nc2ccc(NS(=O)(=O)C(C)(C)C)cc2n1CC1CCC(F)(F)CC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.72
CNR1 P21554 5/20 0.72
KCNH2 Q12809 1/20 0.47

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
SCHEMBL585484 0.92 CNR2 (0.84) CNR2CNR1KCNH2
SCHEMBL585474 0.86 CNR2 (0.73) CNR2CNR1KCNH2
SCHEMBL584109 0.83 CNR2 (1.00) CNR2CNR1KCNH2
SCHEMBL583386 0.83 CNR2 (1.00) CNR2CNR1KCNH2
SCHEMBL589193 0.82 CNR2 (0.82) CNR2CNR1KCNH2
SCHEMBL585174 0.80 CNR2 (0.66) CNR2CNR1KCNH2
SCHEMBL584424 0.80 CNR2 (0.88) CNR2CNR1KCNH2
SCHEMBL3927831 0.79 CNR2 (0.79) CNR2CNR1KCNH2
SCHEMBL583992 0.78 CNR2 (0.76) CNR2CNR1KCNH2
SCHEMBL585586 0.76 CNR2 (0.88) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-A4 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1797077-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033631-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2006-03-30 WO disclosed