SCHEMBL1767933

SCHEMBL1767933

CCCCCCCCC=CCCCCCCCC(=O)c1cc2ccccc2nc1N

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.56
CES1 P23141 3/20 0.56
DAGLA Q9Y4D2 1/20 0.56
IKBKB O14920 1/20 0.49
TLR8 Q9NR97 5/20 0.48

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
SCHEMBL29145018 0.87 FAAH (0.57) FAAHCES1DAGLA
SCHEMBL19890145 0.85 FAAH (0.54) FAAHCES1DAGLA
SCHEMBL29037513 0.82 IKBKB (0.62) IKBKBTLR8
SCHEMBL7170901 0.77 SOAT1 (0.53) FAAHCES1DAGLA
SCHEMBL1767937 0.77 TLR8 (0.82) TLR8
SCHEMBL3263294 0.76 SMN1; SMN2 (0.52) FAAHCES1DAGLATLR8
SCHEMBL19876966 0.76 FAAH (0.43) FAAHCES1DAGLATLR8
SCHEMBL25383771 0.75 FAAH (0.57) FAAHCES1DAGLA
SCHEMBL19890270 0.75 FAAH (0.42) FAAHCES1DAGLATLR8
SCHEMBL28060768 0.74 FAAH (0.47) FAAHCES1DAGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504330-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063272-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed