SCHEMBL5801499

SCHEMBL5801499

CCC(NCCC#N)C1CN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1.CCC(NCCC#N)C1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 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
SCHEMBL5470823 0.91 KCNH2 (0.41) KCNH2
SCHEMBL5462537 0.90 KCNH2 (0.41) KCNH2
SCHEMBL5466783 0.89 KCNH2 (0.49) KCNH2
SCHEMBL5452039 0.88 KCNH2 (0.49) KCNH2
SCHEMBL5799174 0.86 KCNH2 (0.36) KCNH2
SCHEMBL5798813 0.83 KCNH2 (0.41) KCNH2
SCHEMBL5801958 0.81 JAK2 (0.35) KCNH2
SCHEMBL14432073 0.80 KCNH2 (0.54) KCNH2
SCHEMBL5459714 0.80 KCNH2 (0.54) KCNH2
SCHEMBL5800341 0.80 KCNH2 (0.39) 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