SCHEMBL1386783

SCHEMBL1386783

COC[C@H]1CN(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)CC(=O)N1CC1CCN(c2ccnc(N(C)C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
F10 P00742 17/20 0.36
ACACB O00763 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
SCHEMBL1385080 0.94 KCNH2 (0.45) KCNH2F10
SCHEMBL1386449 0.90 KCNH2 (0.39) KCNH2F10ACACB
SCHEMBL1385845 0.89 KCNH2 (0.46) KCNH2F10ACACB
SCHEMBL1385505 0.89 F10 (0.39) KCNH2F10ACACB
SCHEMBL1385202 0.85 F10 (0.43) F10
SCHEMBL1384406 0.84 KCNH2 (0.45) KCNH2F10
SCHEMBL1386823 0.84 KCNH2 (0.52) KCNH2F10
SCHEMBL1385672 0.80 F10 (0.41) KCNH2F10ACACB
SCHEMBL1384724 0.79 KCNH2 (0.39) KCNH2F10ACACB
SCHEMBL4397700 0.78 F10 (0.39) KCNH2F10ACACB

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-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed