SCHEMBL14200738

SCHEMBL14200738

CCCCCC(C)N(CCC(C)(C)C)c1nccc(CCCC)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
ACACB O00763 1/20 0.30

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
SCHEMBL14200658 0.95 KCNH2 (0.31) KCNH2ACACB
SCHEMBL14200646 0.94 KCNH2 (0.31) KCNH2ACACB
SCHEMBL14200615 0.92
SCHEMBL14200664 0.90 KCNH2 (0.32) KCNH2ACACB
SCHEMBL14229267 0.89 KCNH2 (0.37) KCNH2
SCHEMBL14200633 0.86 ACACB (0.31) ACACB
SCHEMBL14200740 0.85 KCNH2 (0.32) KCNH2
SCHEMBL14200742 0.85 KCNH2 (0.32) KCNH2
SCHEMBL14200706 0.84 KCNH2 (0.33) KCNH2
SCHEMBL14228949 0.84 KCNH2 (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed