SCHEMBL1905660

SCHEMBL1905660

CCC(C)[C@@H](N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1cnc(N)s1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP14 P50281 1/20 0.41
MMP2 P08253 2/20 0.41
OPRD1 P41143 1/20 0.41
SIRT2 Q8IXJ6 5/20 0.39
HRH4 Q9H3N8 1/20 0.39
ANPEP P15144 1/20 0.39
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38

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
SCHEMBL1907287 0.95 MME (0.51) MMEACECPA1ACE2CTSS
SCHEMBL1905678 0.87 MME (0.43) MMEACECPA1ACE2CTSS
SCHEMBL1431845 0.86 MME (0.51) MMEACECPA1ACE2CTSS
SCHEMBL1905136 0.85 CTSK (0.53) MMEACECPA1ACE2CTSS
SCHEMBL1905139 0.85 CTSK (0.53) MMEACECPA1ACE2CTSS
SCHEMBL1905137 0.85 CTSK (0.53) MMEACECPA1ACE2CTSS
SCHEMBL1908220 0.82 CTSS (0.64) CTSSCTSKPSMB8PSMB5
SCHEMBL1908183 0.82 HRH4 (0.45) MMEACECPA1ACE2CTSS
SCHEMBL1908181 0.82 HRH4 (0.45) MMEACECPA1ACE2CTSS
SCHEMBL1907892 0.82 AKT1 (0.46) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed