SCHEMBL4053535

SCHEMBL4053535

CCCC(NC(=O)c1ccccc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.59
CCR1 P32246 5/20 0.45
CTSS P25774 7/20 0.43
CTSL P07711 5/20 0.42
PREP P48147 2/20 0.42
FAP Q12884 2/20 0.42
CTSV O60911 3/20 0.42
LONP1 P36776 2/20 0.37

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
SCHEMBL4037909 0.94 CTSK (0.55) CTSKCCR1CTSSCTSLPREP
SCHEMBL4040279 0.93 CTSK (0.54) CTSKCCR1CTSSCTSLPREP
SCHEMBL4041248 0.93 CTSK (0.55) CTSKCCR1CTSSCTSLPREP
SCHEMBL4044295 0.93 CTSK (0.66) CTSKCCR1CTSSCTSLPREP
SCHEMBL4040591 0.92 CTSK (0.53) CTSKCCR1CTSSCTSLPREP
SCHEMBL4041590 0.92 CTSK (0.66) CTSKCCR1CTSSCTSLPREP
SCHEMBL4045453 0.92 CTSK (0.56) CTSKCCR1CTSSCTSLPREP
SCHEMBL4044657 0.91 CTSK (0.52) CTSKCCR1CTSSCTSLPREP
SCHEMBL4046526 0.91 CTSK (0.72) CTSKCCR1CTSSCTSLCTSV
SCHEMBL4037045 0.91 CTSK (0.72) CTSKCCR1CTSSCTSLCTSV

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