SCHEMBL7762274

SCHEMBL7762274

CNC(=O)[C@H](Cc1ccccn1)N(C(=O)C(S)CCCN1C(=O)c2ccccc2C1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.42
CTSL P07711 7/20 0.42
CTSS P25774 5/20 0.42
CTSB P07858 2/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41

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
SCHEMBL7376979 0.94 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL7384628 0.91 MMP1 (0.40) CTSKCTSLCTSSCTSBMMP1
SCHEMBL7384308 0.82 MMP1 (0.40) CTSKCTSLCTSSCTSBMMP1
SCHEMBL8764249 0.80 MMP1 (0.45) CTSKCTSLCTSSCTSBMMP1
SCHEMBL8764718 0.80 MMP1 (0.50) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6419064 0.79 MMP3 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7384879 0.75 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL7384509 0.75 MME (0.45) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8764735 0.75 MMP3 (0.44) CTSKCTSLCTSSCTSBMMP1
SCHEMBL7384528 0.75 CTSK (0.43) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed