SCHEMBL5548608

SCHEMBL5548608

COc1ccc2nccc(N3CCN(CC(NC(=O)O)C(C)(C)C)CC3=O)c2n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.37
SLC2A1 P11166 4/20 0.37
REN P00797 1/20 0.35
KCNH2 Q12809 6/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 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
SCHEMBL2946390 0.81 KCNH2 (0.40) CYP8B1SLC2A1KCNH2
SCHEMBL13238486 0.78 DRD2 (0.46) CYP8B1KCNH2
SCHEMBL2955854 0.77 KCNH2 (0.38) CYP8B1KCNH2
SCHEMBL1224706 0.75 CYP8B1 (0.44) CYP8B1
SCHEMBL5548598 0.74 KCNH2 (0.39) SLC2A1KCNH2
SCHEMBL4047163 0.73 CYP8B1 (0.47) CYP8B1SLC2A1KCNH2
SCHEMBL4054921 0.73 CYP8B1 (0.45) CYP8B1SLC2A1KCNH2
SCHEMBL5740250 0.68 KCNH2 (0.35) SLC2A1KCNH2
SCHEMBL1223922 0.68 NCF1 (0.40) CYP8B1SLC2A1KCNH2
SCHEMBL2951476 0.67 KCNH2 (0.51) KCNH2

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-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed