SCHEMBL7528389

SCHEMBL7528389

O=C(CCCCNC(=O)C1(NC(=O)c2cc(Cl)ccc2Cl)CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
FAAH O00519 4/20 0.41
CES1 P23141 2/20 0.41
DAGLA Q9Y4D2 1/20 0.41
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
ERAP1 Q9NZ08 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTSS P25774 1/20 0.35
TACR2 P21452 2/20 0.35
THRB P10828 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
SCHEMBL7530247 0.92 FAAH (0.44) FAAHCES1DAGLACTSLCTSK
SCHEMBL7531275 0.83 TACR2 (0.49) FAAHCES1DAGLATACR2
SCHEMBL7533012 0.82 FAAH (0.45) FAAHCES1DAGLACTSLCTSK
SCHEMBL7533880 0.81 TACR2 (0.52) TACR2
SCHEMBL7535321 0.80 FAAH (0.43) FAAHCES1DAGLACTSLCTSK
SCHEMBL7536597 0.80 FAAH (0.43) FAAHCES1DAGLACTSLCTSK
SCHEMBL7530914 0.80 FAAH (0.43) FAAHCES1DAGLAPOLBKMT2A
SCHEMBL7535950 0.80 CTSL (0.49) MAPTFAAHCES1DAGLACTSL
SCHEMBL7530225 0.79 CTSS (0.46) MAPTCTSLCTSKCTSS
SCHEMBL7531990 0.79 ALDH1A1 (0.45) MAPTFAAHCES1DAGLACTSL

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 claimed