SCHEMBL6463429

SCHEMBL6463429

O=C(CCc1ccccc1C(F)(F)F)NC(CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.47
FAAH O00519 1/20 0.47
CES1 P23141 1/20 0.47
CTSS P25774 6/20 0.43
CTSL P07711 5/20 0.43
CTSK P43235 5/20 0.43
CTSB P07858 4/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CMA1 P23946 2/20 0.42
PRSS8 Q16651 2/20 0.42
XDH P47989 1/20 0.41
PTPN1 P18031 1/20 0.41
RBP4 P02753 1/20 0.39

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
SCHEMBL6466589 0.89 DAGLA (0.56) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6466909 0.89 DAGLA (0.56) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6466058 0.87 FAAH (0.49) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7049727 0.84 CTSS (0.46) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6465889 0.83 DAGLA (0.52) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6467441 0.81 PTPN1 (0.45) DAGLAFAAHCES1POLBGAA
SCHEMBL6464884 0.81 CTSS (0.49) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6465141 0.80 CTSS (0.48) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6463419 0.80 CTSS (0.48) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6468629 0.80 CTSS (0.48) DAGLAFAAHCES1CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed