SCHEMBL5728320

SCHEMBL5728320

COC(=O)C1(NCC(=O)Nc2ccccc2)CCN(C[C@@H](O)c2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.50
KCNH2 Q12809 2/20 0.46
PDGFRB P09619 1/20 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
SCHEMBL5728317 1.00 SLC2A1 (0.50) SLC2A1KCNH2PDGFRB
SCHEMBL5728313 1.00 SLC2A1 (0.50) SLC2A1KCNH2PDGFRB
SCHEMBL5726126 0.89 SLC2A1 (0.50) SLC2A1KCNH2
SCHEMBL5726129 0.89 SLC2A1 (0.50) SLC2A1KCNH2
SCHEMBL5726122 0.89 SLC2A1 (0.50) SLC2A1KCNH2
SCHEMBL5739124 0.83 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5739137 0.83 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5739145 0.83 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5927692 0.82 SLC2A1 (0.59) SLC2A1KCNH2
SCHEMBL5725985 0.79 SLC2A1 (0.56) 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