SCHEMBL6465893

SCHEMBL6465893

CC(CCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)CCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GART P22102 1/20 0.43
XDH P47989 6/20 0.43
FAAH O00519 3/20 0.42
CES1 P23141 2/20 0.42
DAGLA Q9Y4D2 1/20 0.42
ELANE P08246 2/20 0.40
CTSS P25774 2/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GLO1 Q04760 1/20 0.36

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
SCHEMBL6466913 0.79 FAAH (0.41) GARTXDHFAAHCES1DAGLA
SCHEMBL6471951 0.78 XDH (0.43) GARTXDHFAAHCES1DAGLA
SCHEMBL6467431 0.78 RAB9A (0.42) GARTXDHFAAHCES1DAGLA
SCHEMBL7047104 0.74 LMNA (0.45) GARTXDHFAAHCES1DAGLA
SCHEMBL6466221 0.74 DAGLA (0.41) GARTFAAHCES1DAGLACTSS
SCHEMBL6466063 0.73 KDM4E (0.41) GARTXDHFAAHCES1DAGLA
SCHEMBL6464310 0.72 ALDH1A1 (0.41) GARTXDHFAAHCES1DAGLA
SCHEMBL6475534 0.72 SMN1; SMN2 (0.39) GARTELANECTSSRAB9ANPC1
SCHEMBL6467567 0.71 CTSS (0.38) GARTXDHELANECTSSRAB9A
SCHEMBL6463422 0.71 FAAH (0.41) GARTFAAHCTSSRAB9ANPC1

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