SCHEMBL4041987

SCHEMBL4041987

CCC(C)C(NC(C)=O)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.47
CTSL P07711 7/20 0.36
CTSS P25774 6/20 0.36
CTSB P07858 2/20 0.36
ACE2 Q9BYF1 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4047203 0.93 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4047843 0.93 CTSK (0.49) CTSKCTSLCTSSCTSBACE2
SCHEMBL4049584 0.93 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4046903 0.90 CTSK (0.48) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4043538 0.90 CTSK (0.49) CTSKCTSLCTSSCTSBACE2
SCHEMBL4042461 0.90 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4051840 0.90 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4042998 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4039890 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4047665 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBACE2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP claimed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP disclosed
EP-1919901-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed