SCHEMBL6466056

SCHEMBL6466056

NC(=O)C(Cc1ccccc1Cl)[C@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.45
FAAH O00519 1/20 0.45
CES1 P23141 1/20 0.45
XDH P47989 4/20 0.43
CTSS P25774 5/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
PRSS8 Q16651 1/20 0.35
CMA1 P23946 2/20 0.35
LMNA P02545 1/20 0.35

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 0.90 DAGLA (0.50) DAGLAFAAHCES1XDHMAPT
SCHEMBL6463425 0.85 DAGLA (0.43) DAGLAFAAHCES1XDHCTSS
SCHEMBL6465885 0.85 XDH (0.47) DAGLAFAAHCES1XDHCTSS
SCHEMBL6463414 0.78 CTSS (0.44) DAGLAFAAHCES1XDHCTSS
SCHEMBL6468626 0.78 CTSS (0.44) DAGLAFAAHCES1XDHCTSS
SCHEMBL6464297 0.77 DAGLA (0.44) DAGLAFAAHCES1XDHPRSS8
SCHEMBL7048981 0.76 DAGLA (0.45) DAGLAFAAHCES1XDHCTSS
SCHEMBL5523159 0.76 DAGLA (0.56) DAGLAFAAHCES1XDHKDM4E
SCHEMBL7181300 0.76 CTSS (0.47) DAGLAFAAHCES1XDHCTSS
SCHEMBL6466058 0.75 FAAH (0.49) DAGLAFAAHCES1XDHCTSS

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