SCHEMBL6467558

SCHEMBL6467558

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CES1 P23141 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
CTSS P25774 15/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.46
PRSS8 Q16651 2/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL6475526 0.94 FAAH (0.46) FAAHCES1DAGLACTSSCTSL
SCHEMBL7045498 0.89 PRSS8 (0.49) FAAHCES1DAGLACTSSCTSL
SCHEMBL7046962 0.86 PRSS8 (0.49) FAAHCES1DAGLACTSSCTSL
SCHEMBL6465889 0.84 DAGLA (0.52) FAAHCES1DAGLACTSSCTSL
SCHEMBL6464410 0.83 FAAH (0.42) FAAHCES1DAGLACTSSCTSL
SCHEMBL7046460 0.82 PRSS8 (0.47) FAAHCES1DAGLACTSSCTSL
SCHEMBL7049751 0.80 FAAH (0.46) FAAHCES1DAGLACTSSCTSL
SCHEMBL6471948 0.80 CTSS (0.50) FAAHCES1DAGLACTSSCTSL
SCHEMBL7575216 0.80 FAAH (0.36) FAAHCES1DAGLACYP3A4XDH
SCHEMBL6467033 0.80 FAAH (0.36) FAAHCES1DAGLACYP3A4XDH

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