SCHEMBL4968680

SCHEMBL4968680

CCN(c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCOCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.58
CNR1 P21554 3/20 0.51
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4965538 0.92 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL4967056 0.90 CNR2 (0.62) CNR2CNR1KCNH2
SCHEMBL4967717 0.90 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL4969171 0.90 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL4974878 0.90 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL4968859 0.89 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL4966062 0.89 CNR2 (0.57) CNR2CNR1KCNH2
SCHEMBL4966153 0.87 CNR2 (0.58) CNR2CNR1KCNH2
SCHEMBL4966237 0.85 CNR2 (0.68) CNR2CNR1KCNH2
SCHEMBL4976175 0.85 CNR2 (0.63) 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 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 claimed