SCHEMBL5800341

SCHEMBL5800341

COc1c(N2CCC(CN(C)CCC#N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12.Cc1c(N2CCC(CN(C)CCC#N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.39
TOP1 P11387 1/20 0.32

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
SCHEMBL5800626 0.95 KCNH2 (0.37) KCNH2TOP1
SCHEMBL5466765 0.91 KCNH2 (0.45) KCNH2TOP1
SCHEMBL5464513 0.90 KCNH2 (0.44) KCNH2TOP1
SCHEMBL5464806 0.89 KCNH2 (0.41) KCNH2
SCHEMBL5799422 0.86 KCNH2 (0.34) KCNH2
SCHEMBL5798813 0.83 KCNH2 (0.41) KCNH2
SCHEMBL5459058 0.82 KCNH2 (0.44) KCNH2TOP1
SCHEMBL5459785 0.82 KCNH2 (0.43) KCNH2TOP1
SCHEMBL5801490 0.81 KCNH2 (0.32) KCNH2
SCHEMBL5799174 0.81 KCNH2 (0.36) KCNH2

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-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed