SCHEMBL8345705

SCHEMBL8345705

COC(=O)[C@H](Cc1cn(CCc2ccccc2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.49
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
AKT1 P31749 1/20 0.44
ACE P12821 1/20 0.43
SCN9A Q15858 2/20 0.42
SIRT2 Q8IXJ6 4/20 0.42
CCKAR P32238 1/20 0.42
CCKBR P32239 1/20 0.42
PPARA Q07869 2/20 0.41
CPB2 Q96IY4 2/20 0.41
PPARG P37231 1/20 0.41
CPB1 P15086 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
SCHEMBL6324267 0.92 ACE (0.52) CTSSCTSKCTSLCTSBAKT1
SCHEMBL19508750 0.90 KLK5 (0.51) KLK5CTSSCTSKCTSLCTSB
SCHEMBL13617435 0.89 HDAC6 (0.46) KLK5AKT1SIRT2CPB2CPB1
SCHEMBL8347877 0.86 CPB2 (0.54) KLK5CTSKSCN9ASIRT2CPB2
SCHEMBL8349511 0.84 CPB2 (0.42) KLK5CTSKSIRT2CPB2CPB1
SCHEMBL5358340 0.82 MAPT (0.46) KLK5CTSSCTSKCTSLCTSB
SCHEMBL4418364 0.82 ALDH1A1 (0.45) KLK5CTSSCTSKCTSLCTSB
SCHEMBL27627317 0.82 ALDH1A1 (0.45) KLK5CTSSCTSKCTSLCTSB
SCHEMBL17642069 0.82 ACE (0.56) CTSSCTSKCTSLCTSBAKT1
SCHEMBL3429311 0.82 ACE (0.56) CTSSCTSKCTSLCTSBAKT1

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-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed