SCHEMBL5798520

SCHEMBL5798520

CNCC(C#N)C1CCN(c2cc(N)c3c(=O)[nH]c(=O)n(C4CC4)c3c2C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.32
TPH1 P17752 1/20 0.30
TPH2 Q8IWU9 1/20 0.30

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
SCHEMBL5459698 0.86 KCNH2 (0.32) KCNH2TPH1TPH2
SCHEMBL5822717 0.86 KCNH2 (0.33) KCNH2TPH1TPH2
SCHEMBL5458063 0.85 KCNH2 (0.35) KCNH2
SCHEMBL5473439 0.83 KCNH2 (0.31) KCNH2
SCHEMBL5455611 0.83 KCNH2 (0.34) KCNH2
SCHEMBL5798757 0.80
SCHEMBL6528178 0.77 EEF2K (0.33)
SCHEMBL5469174 0.76 KCNH2 (0.33) KCNH2TPH1TPH2
SCHEMBL5454102 0.75 KCNH2 (0.38) KCNH2TPH1TPH2
SCHEMBL5459033 0.73 KCNH2 (0.33) 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