SCHEMBL14200501

SCHEMBL14200501

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.38
HDAC8 Q9BY41 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
POLQ O75417 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
SCHEMBL14200497 0.93 RIPK1 (0.36) RIPK1HDAC8
SCHEMBL14200491 0.90 RIPK1 (0.36) RIPK1HDAC8TAS1R3TAS1R1
SCHEMBL14200498 0.90 RIPK1 (0.39) RIPK1HDAC8POLQ
SCHEMBL14200835 0.87 RIPK1 (0.33) RIPK1
SCHEMBL14200480 0.86 ALDH1A1 (0.43)
SCHEMBL14201017 0.86 CYP1A2 (0.34) RIPK1HDAC8TAS1R3TAS1R1
SCHEMBL14229355 0.85 TP53 (0.35) RIPK1
SCHEMBL14200500 0.85 RIPK1 (0.38) RIPK1HDAC8POLQ
SCHEMBL14543454 0.85 RIPK1 (0.49) RIPK1
SCHEMBL14200495 0.84 RIPK1 (0.34) RIPK1HDAC8

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-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