SCHEMBL5722182

SCHEMBL5722182

CC(C)(C)c1nc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1CC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.69
KCNH2 Q12809 1/20 0.57
CNR1 P21554 3/20 0.51

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
SCHEMBL5722219 0.92 CNR2 (0.65) CNR2CNR1
SCHEMBL5722233 0.91 CNR2 (0.59) CNR2KCNH2CNR1
SCHEMBL4965771 0.85 CNR2 (0.72) CNR2KCNH2CNR1
SCHEMBL5722202 0.84 CNR2 (0.57) CNR2KCNH2CNR1
SCHEMBL4965990 0.83 CNR2 (0.68) CNR2KCNH2CNR1
SCHEMBL5722174 0.82 GNRHR (0.54) CNR2
SCHEMBL4966071 0.81 CNR2 (0.64) CNR2KCNH2CNR1
SCHEMBL5722228 0.81 CNR2 (0.55) CNR2KCNH2
SCHEMBL5521048 0.81 CNR2 (0.62) CNR2CNR1
SCHEMBL4966204 0.80 CNR2 (0.71) CNR2KCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed