SCHEMBL6467484

SCHEMBL6467484

NC(=O)c1ccnc(C(=O)N(CCCc2ccccc2)C(=O)c2nc3ccccc3o2)c1CCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.39
FAAH O00519 8/20 0.39
CES1 P23141 5/20 0.39
XDH P47989 2/20 0.35
MIF P14174 1/20 0.34
MMP2 P08253 1/20 0.34
BMP1 P13497 1/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32

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
SCHEMBL7049335 0.74 DAGLA (0.42) DAGLAFAAHCES1XDHMMP2
SCHEMBL6463072 0.74 DAGLA (0.60) DAGLAFAAHCES1XDH
SCHEMBL6467342 0.73 DAGLA (0.41) DAGLAFAAHCES1XDHMMP2
SCHEMBL6466348 0.70 FAAH (0.43) DAGLAFAAHCES1MMP2
SCHEMBL7048552 0.68 CTSS (0.39) DAGLAFAAHCES1MMP2
Hydrochloric Acid SCHEMBL7114461 0.67 CTSS (0.44) DAGLAFAAHCES1MMP2
SCHEMBL6063084 0.67 CTSS (0.53) DAGLAFAAHCES1MMP2
SCHEMBL7049760 0.67 DAGLA (0.54) DAGLAFAAHCES1XDHPPARG
SCHEMBL6467552 0.67 DAGLA (0.51) DAGLAFAAHCES1XDHPPARG
SCHEMBL7047588 0.66 FAAH (0.39) DAGLAFAAHCES1MMP2

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 3 patents. 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
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed