SCHEMBL4053232

SCHEMBL4053232

CCCC(NC(=O)c1ccccc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CCR1 P32246 3/20 0.42
PREP P48147 2/20 0.40
FAP Q12884 2/20 0.40
CTSS P25774 5/20 0.40
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
KMT2A Q03164 1/20 0.37
CCKBR P32239 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL4041378 0.95 CTSK (0.44) CTSKCCR1PREPFAPCTSS
SCHEMBL4045232 0.94 CTSK (0.44) CTSKCCR1PREPFAPCTSS
SCHEMBL4040706 0.93 CTSK (0.45) CTSKCCR1PREPFAPCTSS
SCHEMBL4039999 0.93 CTSK (0.54) CTSKCCR1PREPFAPCTSS
SCHEMBL4042848 0.93 CTSK (0.54) CTSKCCR1PREPFAPCTSS
SCHEMBL4044041 0.93 CTSK (0.43) CTSKCCR1PREPFAPKMT2A
SCHEMBL4042420 0.93 CTSK (0.46) CTSKCCR1PREPFAPCTSS
SCHEMBL4039258 0.92 CTSK (0.42) CTSKCCR1PREPFAPCTSS
SCHEMBL4051552 0.91 CTSK (0.58) CTSKCCR1CTSSCTSVCTSL
SCHEMBL6235462 0.91 CCR1 (0.46) CTSKCCR1PREPFAPCTSS

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