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SCHEMBL5477886

SCHEMBL5477886

COc1c(C(C)(C)C)cc(CN2CC[C@@H](CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 20/20 1.00

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
SCHEMBL5399889 1.00 KCNH2 (1.00) KCNH2
SCHEMBL5634038 1.00 KCNH2 (1.00) KCNH2
SCHEMBL5634775 0.91 KCNH2 (1.00) KCNH2
SCHEMBL5634676 0.89 KCNH2 (1.00) KCNH2
SCHEMBL5633525 0.86 KCNH2 (0.82) KCNH2
SCHEMBL4464408 0.83 KCNH2 (0.80) KCNH2
SCHEMBL4460955 0.83 KCNH2 (0.80) KCNH2
SCHEMBL5399884 0.82 KCNH2 (0.69) KCNH2
SCHEMBL5477882 0.82 KCNH2 (0.69) KCNH2
SCHEMBL5399893 0.80 KCNH2 (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007518742-A — — 2007-07-12 — — JP claimed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 — — EP claimed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 — — WO claimed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 — — EP disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 — — WO disclosed