SCHEMBL4047889

SCHEMBL4047889

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCCC1)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
HSD11B1 P28845 3/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4045968 0.99 CTSK (0.33) CTSKHSD11B1
SCHEMBL4046572 0.89 CTSK (0.34) CTSK
SCHEMBL4049392 0.86 HSD11B1 (0.34) CTSKHSD11B1
SCHEMBL4044210 0.86 CTSK (0.32) CTSK
SCHEMBL4053300 0.85 CTSK (0.33) CTSK
SCHEMBL4045302 0.85 HSD11B1 (0.37) CTSKHSD11B1
SCHEMBL4042495 0.85 DPP4 (0.38) CTSK
SCHEMBL4051336 0.85 DPP4 (0.37) CTSKHSD11B1
SCHEMBL4052224 0.84 CTSK (0.33) CTSK
SCHEMBL4045017 0.84 CTSK (0.33) 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