SCHEMBL585319

SCHEMBL585319

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.61
CNR1 P21554 3/20 0.61
KCNH2 Q12809 1/20 0.52

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
SCHEMBL4000364 0.92 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL3979588 0.88 CNR2 (0.63) CNR2CNR1KCNH2
SCHEMBL584287 0.86 CNR2 (0.64) CNR2CNR1KCNH2
SCHEMBL3916403 0.84 CNR2 (0.59) CNR2CNR1KCNH2
SCHEMBL3756608 0.84 CNR2 (0.65) CNR2CNR1KCNH2
SCHEMBL589032 0.84 CNR2 (0.67) CNR2CNR1KCNH2
SCHEMBL4966435 0.83 CNR2 (0.62) CNR2CNR1KCNH2
SCHEMBL3915459 0.83 CNR2 (0.64) CNR2CNR1KCNH2
SCHEMBL5181670 0.82 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL3971110 0.82 CNR2 (0.60) 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-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed