SCHEMBL14201159

SCHEMBL14201159

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.38
MLYCD O95822 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL14201193 0.90 RIPK1 (0.36) RIPK1MLYCDDPP4DPP8DPP9
SCHEMBL14543454 0.87 RIPK1 (0.49) RIPK1
SCHEMBL14201185 0.87 RIPK1 (0.33) RIPK1TAS1R3TAS1R1
SCHEMBL14201157 0.84 RIPK1 (0.34) RIPK1MLYCDHDAC8
SCHEMBL14200501 0.82 RIPK1 (0.38) RIPK1TAS1R3TAS1R1HDAC8
SCHEMBL14201177 0.81 RIPK1 (0.34) RIPK1MLYCDTAS1R3TAS1R1HDAC8
SCHEMBL14229355 0.80 TP53 (0.35) RIPK1DPP4DPP9
SCHEMBL14201195 0.80 POLB (0.33) RIPK1
SCHEMBL14229433 0.78 GAA (0.34) RIPK1MLYCDDPP4DPP9HDAC8
SCHEMBL14201155 0.78 ALDH1A1 (0.40) RIPK1TAS1R3TAS1R1

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