SCHEMBL6468442

SCHEMBL6468442

O=C(O)NCC(C(=O)NCCCCC(=O)c1nc2ccccc2o1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 15/20 0.55
FAAH O00519 9/20 0.55
CES1 P23141 6/20 0.55
XDH P47989 2/20 0.37

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
SCHEMBL6462869 0.91 DAGLA (0.52) DAGLAFAAHCES1XDH
SCHEMBL6462832 0.87 DAGLA (0.43) DAGLAFAAHCES1XDH
SCHEMBL6467366 0.86 DAGLA (0.47) DAGLAFAAHCES1
SCHEMBL6463188 0.86 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL6466177 0.85 DAGLA (0.44) DAGLAFAAHCES1
SCHEMBL7045524 0.85 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL6465127 0.84 DAGLA (0.42) DAGLAFAAHCES1
SCHEMBL6062834 0.84 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL7043175 0.84 DAGLA (0.46) DAGLAFAAHCES1
SCHEMBL27805184 0.82 DAGLA (0.67) DAGLAFAAHCES1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed