SCHEMBL3176259

SCHEMBL3176259

COc1ccc2nccc(N3CCC(NC(C)NC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 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
SCHEMBL3176261 0.87 KCNH2 (0.40) CYP8B1
SCHEMBL4065072 0.81 SIRT2 (0.39) CYP8B1
SCHEMBL3175737 0.81 CYP8B1 (0.40) CYP8B1
SCHEMBL3178236 0.79 KCNH2 (0.44)
SCHEMBL4070188 0.78 HTR1A (0.42)
Hydrochloric Acid SCHEMBL3162918 0.78 KCNH2 (0.44)
SCHEMBL5752097 0.78 KCNH2 (0.51)
SCHEMBL3169008 0.78 KCNH2 (0.40)
SCHEMBL4067780 0.77 CYP8B1 (0.38) CYP8B1
SCHEMBL14434693 0.76 SLC2A1 (0.58)

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
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed