SCHEMBL6463425

SCHEMBL6463425

NC(=O)C(Cc1ccccc1C(F)(F)F)C(CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.43
FAAH O00519 1/20 0.43
CES1 P23141 1/20 0.43
XDH P47989 3/20 0.41
PTPN1 P18031 1/20 0.41
RBP4 P02753 1/20 0.39
NR3C2 P08235 1/20 0.38
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
CMA1 P23946 2/20 0.36
PRSS8 Q16651 2/20 0.34
PPARG P37231 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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 0.87 DAGLA (0.50) DAGLAFAAHCES1XDHCMA1
SCHEMBL6466056 0.85 DAGLA (0.45) DAGLAFAAHCES1XDHCTSS
SCHEMBL6463433 0.82 DAGLA (0.42) DAGLAFAAHCES1XDHPTPN1
SCHEMBL6465885 0.80 XDH (0.47) DAGLAFAAHCES1XDHCTSS
SCHEMBL6463429 0.77 DAGLA (0.47) DAGLAFAAHCES1XDHPTPN1
SCHEMBL7049727 0.77 CTSS (0.46) DAGLAFAAHCES1XDHPTPN1
SCHEMBL6468626 0.76 CTSS (0.44) DAGLAFAAHCES1XDHCTSS
SCHEMBL6463414 0.76 CTSS (0.44) DAGLAFAAHCES1XDHCTSS
SCHEMBL6464297 0.75 DAGLA (0.44) DAGLAFAAHCES1XDHCMA1
SCHEMBL6466213 0.74 CTSL (0.45) 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