SCHEMBL4968439

SCHEMBL4968439

CCN(c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCO1)S(=O)(=O)c1ccc(NC(=O)NC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.57
KCNH2 Q12809 1/20 0.43
CNR1 P21554 2/20 0.40

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
SCHEMBL4966153 0.89 CNR2 (0.58) CNR2KCNH2CNR1
SCHEMBL5438189 0.86 CNR2 (0.49) CNR2KCNH2CNR1
SCHEMBL14523981 0.84 CNR2 (0.51) CNR2CNR1
SCHEMBL4967057 0.83 CNR2 (0.49) CNR2CNR1
SCHEMBL4968859 0.81 CNR2 (0.61) CNR2KCNH2CNR1
SCHEMBL4967056 0.80 CNR2 (0.62) CNR2KCNH2CNR1
SCHEMBL4969171 0.79 CNR2 (0.61) CNR2KCNH2CNR1
SCHEMBL4967717 0.79 CNR2 (0.61) CNR2KCNH2CNR1
SCHEMBL4974878 0.79 CNR2 (0.61) CNR2KCNH2CNR1
SCHEMBL4965538 0.78 CNR2 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed