SCHEMBL7533012

SCHEMBL7533012

O=C(NC1(C(=O)NCCCCC(=O)c2nc3ccccc3o2)CCCCC1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
CES1 P23141 2/20 0.45
DAGLA Q9Y4D2 2/20 0.45
CTSK P43235 1/20 0.42
CTSL P07711 5/20 0.41
CTSB P07858 5/20 0.41
CTSS P25774 5/20 0.41
HDAC6 Q9UBN7 2/20 0.40
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7536597 0.91 FAAH (0.43) FAAHCES1DAGLACTSKCTSL
SCHEMBL7535321 0.91 FAAH (0.43) FAAHCES1DAGLACTSKCTSL
SCHEMBL7535950 0.88 CTSL (0.49) FAAHCES1DAGLACTSKCTSL
SCHEMBL7530297 0.88 CTSL (0.42) FAAHCES1DAGLACTSKCTSL
SCHEMBL7529866 0.88 FAAH (0.43) FAAHCES1DAGLACTSKCTSL
SCHEMBL7530914 0.87 FAAH (0.43) FAAHCES1DAGLACTSBCTSS
SCHEMBL7532252 0.86 CTSL (0.54) FAAHCES1DAGLACTSKCTSL
SCHEMBL7530247 0.85 FAAH (0.44) FAAHCES1DAGLACTSKCTSL
SCHEMBL7531275 0.85 TACR2 (0.49) FAAHCES1DAGLAHDAC6
SCHEMBL7531990 0.84 ALDH1A1 (0.45) FAAHCES1DAGLACTSLCTSB

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