SCHEMBL4040194

SCHEMBL4040194

CC(=O)N1CCCC1C(=O)N1CC(=O)C2C1CCN2C(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
CTSK P43235 2/20 0.33
F2 P00734 1/20 0.33
VHL P40337 1/20 0.32
PARP1 P09874 1/20 0.31
CAPN1 P07384 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
SCHEMBL4045302 0.97 HSD11B1 (0.37) HSD11B1CTSKF2VHL
SCHEMBL4045968 0.85 CTSK (0.33) HSD11B1CTSK
SCHEMBL4047889 0.84 CTSK (0.33) HSD11B1CTSK
SCHEMBL4051336 0.82 DPP4 (0.37) HSD11B1CTSKPARP1
SCHEMBL4046572 0.81 CTSK (0.34) CTSK
SCHEMBL4045017 0.81 CTSK (0.33) CTSK
SCHEMBL4049392 0.81 HSD11B1 (0.34) HSD11B1CTSK
SCHEMBL4047635 0.80 PREP (0.38) CTSK
SCHEMBL4053300 0.80 CTSK (0.33) CTSK
SCHEMBL4045682 0.79 CTSK (0.35) CTSK

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