SCHEMBL5757572

SCHEMBL5757572

COc1ccc2nccc([C@@H](O)CN3CCN(CCNC(=O)Oc4cccs4)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.52
KCNH2 Q12809 3/20 0.49
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL5753152 0.86 SLC2A1 (0.53) SLC2A1KCNH2
SCHEMBL5755670 0.86 SLC2A1 (0.52) SLC2A1KCNH2
SCHEMBL5755845 0.83 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL5755852 0.83 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL5755849 0.83 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL5759496 0.83 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL5759487 0.83 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL5758574 0.83 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL5760232 0.80 SLC2A1 (0.58) SLC2A1KCNH2
SCHEMBL5760228 0.80 SLC2A1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343765-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-22 EP claimed