SCHEMBL6466058

SCHEMBL6466058

O=C(CCc1ccccc1Cl)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
CES1 P23141 1/20 0.49
DAGLA Q9Y4D2 1/20 0.49
CTSS P25774 12/20 0.45
CTSL P07711 4/20 0.45
CTSB P07858 4/20 0.45
CTSK P43235 4/20 0.45
CMA1 P23946 3/20 0.45
CTSG P08311 1/20 0.45
PRSS8 Q16651 2/20 0.43
XDH P47989 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL6466589 0.91 DAGLA (0.56) FAAHCES1DAGLACTSSCTSL
SCHEMBL6466909 0.91 DAGLA (0.56) FAAHCES1DAGLACTSSCTSL
SCHEMBL6463429 0.87 DAGLA (0.47) FAAHCES1DAGLACTSSCTSL
SCHEMBL6465889 0.85 DAGLA (0.52) FAAHCES1DAGLACTSSCTSL
SCHEMBL7181300 0.82 CTSS (0.47) FAAHCES1DAGLACTSSCTSL
SCHEMBL7048981 0.81 DAGLA (0.45) FAAHCES1DAGLACTSSCTSL
SCHEMBL6464884 0.81 CTSS (0.49) FAAHCES1DAGLACTSSCTSL
SCHEMBL6464305 0.80 KDM4E (0.48) FAAHCES1DAGLACTSSCTSL
SCHEMBL6465141 0.80 CTSS (0.48) FAAHCES1DAGLACTSSCTSL
SCHEMBL6463419 0.80 CTSS (0.48) FAAHCES1DAGLACTSSCTSL

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