SCHEMBL6466904

SCHEMBL6466904

NC(=O)C(Cc1ccccc1)[C@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.50
FAAH O00519 1/20 0.50
CES1 P23141 1/20 0.50
XDH P47989 4/20 0.47
CMA1 P23946 2/20 0.40
ELANE P08246 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.38
EPHX1 P07099 1/20 0.38
PRSS8 Q16651 2/20 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
SCHEMBL6466056 0.90 DAGLA (0.45) DAGLAFAAHCES1XDHCMA1
SCHEMBL6465885 0.88 XDH (0.47) DAGLAFAAHCES1XDHELANE
SCHEMBL6463425 0.87 DAGLA (0.43) DAGLAFAAHCES1XDHCMA1
SCHEMBL6468626 0.84 CTSS (0.44) DAGLAFAAHCES1XDHLMNA
SCHEMBL6463414 0.84 CTSS (0.44) DAGLAFAAHCES1XDHLMNA
SCHEMBL6464297 0.82 DAGLA (0.44) DAGLAFAAHCES1XDHCMA1
SCHEMBL5523159 0.81 DAGLA (0.56) DAGLAFAAHCES1XDHELANE
SCHEMBL6463433 0.76 DAGLA (0.42) DAGLAFAAHCES1XDHCMA1
SCHEMBL6465103 0.74 FAAH (0.41) DAGLAFAAHCES1XDH
SCHEMBL6471948 0.74 CTSS (0.50) DAGLAFAAHCES1XDHCMA1

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