SCHEMBL5441920

SCHEMBL5441920

Cc1c(N2CC(CO)C(C)(C)C2)c(F)c(N)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL7093013 0.93 CACNA1F (0.34) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL5425631 0.91 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL5793542 0.88 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6671517 0.84 CACNA1F (0.35) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7096684 0.83
SCHEMBL7096699 0.83 ALDH1A1 (0.30) MAPK1
SCHEMBL7093009 0.81 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7093783 0.81 CACNA1F (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6647200 0.80 KCNH2 (0.34) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7098177 0.80 KCNH2 (0.34) CACNA1FPOLBMAPK1CACNA1DKCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505096-A 2007-03-08 JP claimed
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
WO-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
WO-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed