SCHEMBL3375571

SCHEMBL3375571

COc1ccc2nccc(C[C@H](O)[C@H]3CC[C@H](NC(=O)Oc4ccc5c(n4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3375796 0.91 KCNH2 (0.41) KCNH2
SCHEMBL3375800 0.91 KCNH2 (0.41) KCNH2
SCHEMBL3377897 0.87 KCNH2 (0.51) KCNH2
SCHEMBL3377902 0.87 KCNH2 (0.51) KCNH2
SCHEMBL3374597 0.87 KCNH2 (0.51) KCNH2
SCHEMBL3374594 0.87 KCNH2 (0.51) KCNH2
SCHEMBL3375032 0.86
SCHEMBL2537286 0.79 KCNH2 (0.44) KCNH2
SCHEMBL3374498 0.79 KCNH2 (0.44) KCNH2
SCHEMBL2537288 0.79 KCNH2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP claimed