SCHEMBL6465885

SCHEMBL6465885

CC(C)CC(C(N)=O)[C@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.47
DAGLA Q9Y4D2 2/20 0.47
FAAH O00519 1/20 0.47
CES1 P23141 1/20 0.47
CTSS P25774 4/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
ERAP2 Q6P179 4/20 0.40
ERAP1 Q9NZ08 4/20 0.40
IL1RN P18510 2/20 0.40
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PRSS8 Q16651 1/20 0.38
LNPEP Q9UIQ6 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
SCHEMBL6466904 0.88 DAGLA (0.50) XDHDAGLAFAAHCES1ELANE
SCHEMBL6466056 0.85 DAGLA (0.45) XDHDAGLAFAAHCES1CTSS
SCHEMBL6463414 0.81 CTSS (0.44) XDHDAGLAFAAHCES1CTSS
SCHEMBL6468626 0.81 CTSS (0.44) XDHDAGLAFAAHCES1CTSS
SCHEMBL6463425 0.80 DAGLA (0.43) XDHDAGLAFAAHCES1CTSS
SCHEMBL7045318 0.79 CTSS (0.45) XDHDAGLAFAAHCES1CTSS
SCHEMBL5523159 0.78 DAGLA (0.56) XDHDAGLAFAAHCES1ELANE
SCHEMBL6464297 0.78 DAGLA (0.44) XDHDAGLAFAAHCES1ELANE
SCHEMBL6467423 0.75 XDH (0.44) XDHDAGLARAB9A
SCHEMBL6466213 0.74 CTSL (0.45) XDHDAGLAFAAHCES1CTSS

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