SCHEMBL4968503

SCHEMBL4968503

CCN(C(C)=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCO1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.62
KCNH2 Q12809 1/20 0.46
PTGER4 P35408 1/20 0.41

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
SCHEMBL5010605 0.94 CNR2 (0.54) CNR2KCNH2PTGER4
SCHEMBL4968426 0.85 CNR2 (0.65) CNR2KCNH2
SCHEMBL4000595 0.80 CNR2 (0.94) CNR2KCNH2
Hydrochloric Acid SCHEMBL4002500 0.79 CNR2 (0.92) CNR2KCNH2
SCHEMBL5120916 0.79 CNR2 (0.63) CNR2KCNH2
SCHEMBL4969898 0.79 CNR2 (0.56) CNR2
SCHEMBL14074475 0.78 CNR2 (0.64) CNR2KCNH2
SCHEMBL4966183 0.78 CNR2 (0.64) CNR2KCNH2
SCHEMBL4970666 0.76 CNR2 (0.54) CNR2
SCHEMBL5126974 0.76 CNR2 (0.62) CNR2KCNH2

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