SCHEMBL3409786

SCHEMBL3409786

COc1ccc2nccc(C[C@@H](O)[C@H]3CC[C@H]([AsH2])CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.39
SLC2A1 P11166 1/20 0.36

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
SCHEMBL3409784 1.00 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL3453014 0.89 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL3378397 0.89 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL3250684 0.86 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL3250680 0.86 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL3376809 0.85 KCNH2 (0.41) KCNH2
SCHEMBL3374498 0.80 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL2537288 0.80 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL2537286 0.80 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3374492 0.80 KCNH2 (0.44) KCNH2SLC2A1

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 disclosed