SCHEMBL13617417

SCHEMBL13617417

COC(=O)[C@H](Cc1cn(-c2ccccc2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.48
CPB1 P15086 3/20 0.48
KLK5 Q9Y337 1/20 0.48
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
SIRT2 Q8IXJ6 7/20 0.42
ACE P12821 1/20 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
SCHEMBL3838443 0.91 CPB2 (0.53) CPB2CPB1CTSSCTSLCTSB
SCHEMBL18292156 0.90 CPB2 (0.42) CPB2CPB1KLK5
SCHEMBL19508750 0.83 KLK5 (0.51) KLK5CTSSCTSLCTSBCTSK
SCHEMBL11913040 0.83 SIRT2 (0.61) KLK5CTSSCTSLCTSBCTSK
SCHEMBL13810396 0.83 SIRT2 (0.61) KLK5CTSSCTSLCTSBCTSK
SCHEMBL8345705 0.82 KLK5 (0.49) CPB2CPB1KLK5CTSSCTSL
SCHEMBL3439706 0.80 KLK5 (0.41) CPB2KLK5CTSSCTSLCTSB
SCHEMBL9838791 0.80 KLK5 (0.41) CPB2KLK5CTSSCTSLCTSB
SCHEMBL16464699 0.78 HDAC6 (0.60) KLK5CTSSCTSLCTSBCTSK
SCHEMBL16464697 0.78 HDAC6 (0.60) KLK5CTSSCTSLCTSBCTSK

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
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed