SCHEMBL6467552

SCHEMBL6467552

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.51
FAAH O00519 3/20 0.51
CES1 P23141 1/20 0.51
XDH P47989 3/20 0.44
PPARG P37231 4/20 0.40
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38

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
SCHEMBL6475520 0.93 DAGLA (0.50) DAGLAFAAHCES1XDHPPARG
SCHEMBL7045497 0.89 DAGLA (0.46) DAGLAFAAHCES1XDHPPARG
SCHEMBL6463072 0.88 DAGLA (0.60) DAGLAFAAHCES1XDH
SCHEMBL14110405 0.86 FAAH (0.44) DAGLAFAAHCES1XDH
SCHEMBL7046959 0.84 DAGLA (0.45) DAGLAFAAHCES1XDHPPARG
SCHEMBL6464573 0.82 XDH (0.44) DAGLAFAAHCES1XDH
SCHEMBL6464404 0.81 DAGLA (0.48) DAGLAFAAHCES1XDHPPARG
SCHEMBL7049749 0.81 DAGLA (0.50) DAGLAFAAHCES1XDHPPARG
SCHEMBL7046458 0.81 DAGLA (0.44) DAGLAFAAHCES1XDHPPARG
SCHEMBL7049760 0.78 DAGLA (0.54) DAGLAFAAHCES1XDHPPARG

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