SCHEMBL14200835

SCHEMBL14200835

CCCC(CCC)N(C(=O)CC(C)(C)C)c1ccc(F)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.33
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 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
SCHEMBL14200887 0.93 POLB (0.33)
SCHEMBL14200779 0.90 PSEN1 (0.32) RIPK1
SCHEMBL14543583 0.90 RIPK1 (0.34) RIPK1
SCHEMBL14200734 0.90 RIPK1 (0.34) RIPK1KCNQ3KCNQ2
SCHEMBL14200501 0.87 RIPK1 (0.38) RIPK1
SCHEMBL14200480 0.86 ALDH1A1 (0.43)
SCHEMBL14201017 0.86 CYP1A2 (0.34) RIPK1
SCHEMBL14543580 0.85 TP53 (0.35)
SCHEMBL14201104 0.85 CHRNA1 (0.36)
SCHEMBL14229303 0.85 RIPK1 (0.43) RIPK1

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 3 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