SCHEMBL8349252

SCHEMBL8349252

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.66
CTSS P25774 1/20 0.49
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR1 P32246 1/20 0.33
FAP Q12884 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
SCHEMBL4224757 0.92 CTSK (0.77) CTSKCTSSDPP4DPP8DPP9
SCHEMBL4048538 0.92 CTSK (0.77) CTSKCTSSDPP4DPP8DPP9
SCHEMBL5941541 0.92 CTSK (0.77) CTSKCTSSDPP4DPP8DPP9
SCHEMBL4224752 0.92 CTSK (0.77) CTSKCTSSDPP4DPP8DPP9
SCHEMBL4043482 0.87 CTSK (0.74) CTSKCTSSMEN1ALDH1A1KMT2A
SCHEMBL4037975 0.86 CTSK (0.73) CTSKCTSSDPP4CCR1
SCHEMBL4043175 0.86 CTSK (0.73) CTSKCTSSCCR1
SCHEMBL4044320 0.86 CTSK (0.75) CTSKCTSSMEN1ALDH1A1KMT2A
SCHEMBL4046382 0.86 CTSK (0.72) CTSKCTSSDPP4CCR1
SCHEMBL4044162 0.84 CTSK (0.75) CTSKCTSSDPP4MEN1ALDH1A1

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