SCHEMBL8349115

SCHEMBL8349115

CC(C)C(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccoc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.62
PREP P48147 2/20 0.38
CTSS P25774 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR1 P32246 8/20 0.35
ELANE P08246 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5942351 0.89 CTSK (0.79) CTSKCTSSCCR1
SCHEMBL5942356 0.89 CTSK (0.79) CTSKCTSSCCR1
SCHEMBL4039281 0.89 CTSK (0.79) CTSKCTSSCCR1
SCHEMBL4045666 0.81 CTSK (0.67) CTSKCTSSCCR1
SCHEMBL4042583 0.78 CTSK (0.73) CTSKPREPCTSSALDH1A1HPGD
SCHEMBL4038274 0.78 CTSK (0.65) CTSKCTSSCCR1
SCHEMBL4041441 0.78 CTSK (0.79) CTSKCTSSALDH1A1KMT2ACCR1
SCHEMBL4042162 0.77 CTSK (0.63) CTSKCTSS
SCHEMBL4207941 0.76 CTSK (0.87) CTSKCTSSALDH1A1HPGDKMT2A
SCHEMBL4219737 0.76 CTSK (1.00) CTSKCTSSALDH1A1CCR1

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