SCHEMBL6463773

SCHEMBL6463773

CCCCN(C(=O)O)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc(C(=O)N(C)c2ccncc2)co1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.34
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FAAH O00519 1/20 0.31
LONP1 P36776 2/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
TMPRSS11D O60235 1/20 0.30
CTRL P40313 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL6465287 0.93 TRPV1 (0.42) DAGLATRPV1FAAHLONP1
SCHEMBL6465469 0.89 PPARG (0.35) DAGLAKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6463841 0.83 C3AR1 (0.37) KDM4EKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6475177 0.78 DAGLA (0.47) DAGLAKDM4EKMT2ATRPV1
SCHEMBL6467249 0.69 TRPV1 (0.51) DAGLATRPV1
SCHEMBL7466136 0.67 FAAH (0.36) DAGLAFAAH
SCHEMBL6466197 0.67 FAAH (0.36) DAGLAFAAH
SCHEMBL6466253 0.67 TMPRSS11D (0.38) TMPRSS11DCTRL
SCHEMBL6466207 0.66 DAGLA (0.46) DAGLA
SCHEMBL6464323 0.65 DAGLA (0.45) DAGLAFAAH

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