SCHEMBL5794948

SCHEMBL5794948

COc1c(N2CC(C)(CO)C(C)(CO)C2)c(F)c(N)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL5793542 0.86 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7093009 0.84 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6673258 0.83 EPHX2 (0.36) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7093638 0.82 KCNH2 (0.39) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6668181 0.81 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6673571 0.81 ALDH1A1 (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6669775 0.81 KCNH2 (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7097498 0.81 MEN1 (0.35) KCNH2
SCHEMBL7092989 0.80 CACNA1F (0.31) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6669192 0.80 KCNH2 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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