SCHEMBL7530247

SCHEMBL7530247

O=C(CCCCNC(=O)C1(NC(=O)c2ccccc2Cl)CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
CES1 P23141 2/20 0.44
POLB P06746 2/20 0.44
DAGLA Q9Y4D2 2/20 0.44
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CTSS P25774 3/20 0.36
CTSL P07711 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 1/20 0.35
CTSK P43235 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7528389 0.92 MAPT (0.42) FAAHCES1POLBDAGLAKDM4E
SCHEMBL7533012 0.85 FAAH (0.45) FAAHCES1POLBDAGLACTSS
SCHEMBL7531275 0.84 TACR2 (0.49) FAAHCES1DAGLAHDAC6HDAC3
SCHEMBL7535321 0.83 FAAH (0.43) FAAHCES1POLBDAGLACTSS
SCHEMBL7536597 0.83 FAAH (0.43) FAAHCES1POLBDAGLAKDM4E
SCHEMBL7530914 0.83 FAAH (0.43) FAAHCES1POLBDAGLAKDM4E
SCHEMBL7535950 0.82 CTSL (0.49) FAAHCES1DAGLACTSSCTSL
SCHEMBL7529866 0.82 FAAH (0.43) FAAHCES1POLBDAGLACTSS
SCHEMBL7533880 0.82 TACR2 (0.52)
SCHEMBL7530297 0.82 CTSL (0.42) FAAHCES1POLBDAGLACTSS

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