SCHEMBL4044235

SCHEMBL4044235

CCC(C)C(NC(C)=O)C(=O)N1CC(=O)C2C1CCN2C(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPEP Q07075 4/20 0.31
GZMB P10144 1/20 0.31

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
SCHEMBL4050832 0.92 DPP4 (0.40) CTSKDPP4DPP8DPP9
SCHEMBL4054795 0.89 CTSK (0.39) CTSK
SCHEMBL4047635 0.88 PREP (0.38) CTSK
SCHEMBL4045130 0.86 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL4040620 0.86 DPP4 (0.34) CTSKDPP4DPP8DPP9
SCHEMBL4040440 0.85 CTSK (0.38) CTSK
SCHEMBL4045682 0.84 CTSK (0.35) CTSK
SCHEMBL4046603 0.84 CTSK (0.39) CTSK
SCHEMBL4047114 0.84 CTSK (0.48) CTSK
SCHEMBL4052756 0.84 DPP4 (0.38) CTSKDPP4DPP8DPP9

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed