SCHEMBL7533002

SCHEMBL7533002

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccncc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
CES1 P23141 1/20 0.38
FASN P49327 1/20 0.37
HSF1 Q00613 1/20 0.35
CTSK P43235 1/20 0.35
CTSS P25774 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CTSL P07711 1/20 0.34
XDH P47989 1/20 0.34
CHRNA7 P36544 1/20 0.34
GALK1 P51570 1/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL7536589 0.91 SMN1; SMN2 (0.41) FAAHCES1HSF1CTSSTP53
SCHEMBL7535316 0.91 CTSL (0.40) FAAHCES1CTSKCTSSCTSL
SCHEMBL7535944 0.90 MAPT (0.42) FAAHCES1CTSKCTSSCTSL
SCHEMBL7530295 0.88 FAAH (0.35) FAAHCES1HSF1CTSKCTSS
SCHEMBL7529863 0.88 TACR2 (0.38) FAAHCES1HSF1CTSKCTSS
SCHEMBL7532248 0.86 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL7530243 0.85 LMNA (0.40) FAAHCES1HSF1CTSKCTSS
SCHEMBL7531988 0.85 SLC6A5 (0.42) BRD4TP53
SCHEMBL7531423 0.85 CTSL (0.39) FAAHCES1CTSKCTSSCTSL
SCHEMBL7531161 0.84 CTSL (0.47) FAAHCES1CTSKCTSSCTSL

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed