SCHEMBL8348404

SCHEMBL8348404

C=C(c1ccccc1)N1CC(=O)[C@@H]2[C@H]1CCN2C(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.58
CTSS P25774 5/20 0.49
CTSL P07711 4/20 0.49
CTSB P07858 2/20 0.49
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
CCR1 P32246 2/20 0.39
CTSV O60911 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.36

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
SCHEMBL13909109 0.92 CTSK (0.69) CTSKCTSSCTSLCTSBGRN
SCHEMBL8349746 0.86 CTSK (0.59) CTSKCTSSCTSLCTSBGRN
SCHEMBL8350078 0.82 CTSK (0.69) CTSKCTSSCTSLCTSBGRN
SCHEMBL5942080 0.78 CTSK (0.88) CTSKCTSSCTSLCTSBCCR1
SCHEMBL5942073 0.78 CTSK (0.88) CTSKCTSSCTSLCTSBCCR1
SCHEMBL8349685 0.78 CTSK (0.60) CTSKCTSSCTSLCTSBGRN
SCHEMBL6237514 0.77 CTSK (0.46) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL4037045 0.76 CTSK (0.72) CTSKCTSSCTSLCCR1CTSV
SCHEMBL4046526 0.76 CTSK (0.72) CTSKCTSSCTSLCCR1CTSV
SCHEMBL8348412 0.75 CTSK (0.71) CTSKCTSSCTSBCCR1

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-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed