SCHEMBL6463072

SCHEMBL6463072

O=C(O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 15/20 0.60
FAAH O00519 7/20 0.60
CES1 P23141 5/20 0.60
XDH P47989 3/20 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
SCHEMBL6467552 0.88 DAGLA (0.51) DAGLAFAAHCES1XDH
SCHEMBL6475520 0.87 DAGLA (0.50) DAGLAFAAHCES1XDH
SCHEMBL7049760 0.86 DAGLA (0.54) DAGLAFAAHCES1XDH
SCHEMBL14110504 0.86 FAAH (0.51) DAGLAFAAHCES1XDH
SCHEMBL6464404 0.85 DAGLA (0.48) DAGLAFAAHCES1XDH
SCHEMBL14110445 0.83 FAAH (0.47) DAGLAFAAHCES1XDH
SCHEMBL6462118 0.83 DAGLA (0.58) DAGLAFAAHCES1XDH
SCHEMBL7049749 0.83 DAGLA (0.50) DAGLAFAAHCES1XDH
SCHEMBL14110574 0.80 FAAH (0.47) DAGLAFAAHCES1XDH
SCHEMBL7045497 0.79 DAGLA (0.46) DAGLAFAAHCES1XDH

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed