SCHEMBL1384792

SCHEMBL1384792

CO[C@H](N)C[C@@H]1CN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 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
SCHEMBL1384560 0.92 KCNH2 (0.30) KCNH2
SCHEMBL1380914 0.90 KCNH2 (0.36) KCNH2
SCHEMBL1383900 0.90 TNF (0.31)
SCHEMBL1383387 0.90 TNF (0.31)
SCHEMBL1380228 0.90
SCHEMBL1383580 0.85 CYP1A2 (0.32) KCNH2
SCHEMBL5909017 0.83
SCHEMBL1383304 0.83
SCHEMBL4512976 0.83
SCHEMBL4511107 0.83 KCNH2 (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4811978-B2 2011-11-09 JP claimed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP claimed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO claimed