SCHEMBL5725972

SCHEMBL5725972

COc1ccc2nccc([C@@H](O)CN3CCC(NCC(=O)Nc4ccc(F)c(F)c4)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 11/20 0.65
KCNH2 Q12809 2/20 0.57

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
SCHEMBL5739828 0.92 SLC2A1 (0.63) SLC2A1KCNH2
SCHEMBL5739832 0.92 SLC2A1 (0.63) SLC2A1KCNH2
SCHEMBL5739835 0.92 SLC2A1 (0.63) SLC2A1KCNH2
SCHEMBL5726592 0.91 SLC2A1 (0.71) SLC2A1KCNH2
SCHEMBL5726048 0.91 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL5741217 0.89 SLC2A1 (0.71) SLC2A1KCNH2
SCHEMBL5726075 0.89 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL5739137 0.89 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5728453 0.89 SLC2A1 (0.61) SLC2A1KCNH2
SCHEMBL5739145 0.89 SLC2A1 (0.62) SLC2A1KCNH2

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-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed