SCHEMBL4044452

SCHEMBL4044452

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccc[n+]1[O-])C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
CCR8 P51685 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4043459 0.85 CTSK (0.41) CTSK
SCHEMBL4048376 0.85 CTSK (0.51) CTSK
SCHEMBL4049285 0.85 CTSK (0.41) CTSK
SCHEMBL4042644 0.83 CTSK (0.33) CTSK
SCHEMBL4040766 0.80 CTSK (0.40) CTSKCCR8KCNH2
SCHEMBL4044693 0.80 CTSK (0.42) CTSKCCR8KCNH2
SCHEMBL4042992 0.79 CTSK (0.39) CTSK
SCHEMBL4050761 0.79 PIK3CD (0.42) CTSK
SCHEMBL4044247 0.78 CTSK (0.39) CTSK
SCHEMBL4228919 0.78 CTSK (0.38) 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