SCHEMBL14200742

SCHEMBL14200742

CCCCc1ccnc(N(CCC(C)(C)C)C(CCCC)CCCC)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
CRHR1 P34998 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
SCHEMBL14200740 0.95 KCNH2 (0.32) KCNH2
SCHEMBL14200712 0.95 CRHR1 (0.30) CRHR1
SCHEMBL14200648 0.91 CRHR1 (0.31) CRHR1
SCHEMBL14200706 0.91 KCNH2 (0.33) KCNH2
SCHEMBL14229634 0.88 KCNH2 (0.36) KCNH2CRHR1
SCHEMBL14200662 0.87 ACACB (0.30)
SCHEMBL14200646 0.86 KCNH2 (0.31) KCNH2
SCHEMBL14200738 0.85 KCNH2 (0.33) KCNH2
SCHEMBL14200664 0.85 KCNH2 (0.32) KCNH2
SCHEMBL14200642 0.83

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