SCHEMBL5801347

SCHEMBL5801347

CNC(CC#N)C1CCN(c2ccc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1.CNCC(C#N)C1CCN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5473279 0.85 KCNH2 (0.42) KCNH2
SCHEMBL5466639 0.85 KCNH2 (0.41) KCNH2
SCHEMBL5802639 0.85 KCNH2 (0.36) KCNH2
SCHEMBL5798757 0.84
SCHEMBL5799140 0.84 KCNH2 (0.35) KCNH2
SCHEMBL5459072 0.83 KCNH2 (0.34) KCNH2
SCHEMBL5469137 0.83 JAK2 (0.37) KCNH2
SCHEMBL5798739 0.82 KCNH2 (0.37) KCNH2
SCHEMBL5823221 0.79 KCNH2 (0.39) KCNH2
SCHEMBL5820914 0.78 KCNH2 (0.40) 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 claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed