SCHEMBL1844882

SCHEMBL1844882

COc1ccc2ncc3c(c2n1)[C@@H](CCNCC[C@H]1COC(=O)N1c1ccc2c(c1)NC(=O)CS2)CO3

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL1950019 0.87 KCNH2 (0.38) KCNH2
SCHEMBL1950294 0.87 KCNH2 (0.38) KCNH2
SCHEMBL1951330 0.87 KCNH2 (0.38) KCNH2
SCHEMBL1951333 0.87 KCNH2 (0.38) KCNH2
SCHEMBL14237431 0.87 KCNH2 (0.38) KCNH2
SCHEMBL1950020 0.87 KCNH2 (0.38) KCNH2
SCHEMBL3628396 0.86 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL1950939 0.85 KCNH2 (0.43) KCNH2
SCHEMBL1949968 0.85 KCNH2 (0.43) KCNH2
SCHEMBL1950976 0.85 KCNH2 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529960-A 2011-12-15 JP claimed
EP-2321307-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-05-18 EP claimed
WO-2010015985-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-11 WO claimed