SCHEMBL4042994

SCHEMBL4042994

Cc1c(OC(=O)NC(CC2CC2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)oc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSK P43235 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
PREP P48147 2/20 0.31
FAP Q12884 1/20 0.31
ELANE P08246 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4047585 0.93 CTSK (0.41) CTSSCTSVCTSLCTSKCHRNB2
SCHEMBL4046502 0.92 PREP (0.34) CTSSCTSKCHRNB2CHRNA7CHRNA4
SCHEMBL4042344 0.90 CTSK (0.33) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL6215468 0.89 CHRNB2 (0.40) CTSSCTSVCTSLCTSKCHRNB2
SCHEMBL4049249 0.89 CHRNB2 (0.36) CTSSCTSVCTSLCHRNB2CHRNA7
SCHEMBL4041817 0.89 CTSL (0.33) CTSSCTSVCTSLCTSKPREP
SCHEMBL4046671 0.85 CTSK (0.41) CTSSCTSVCTSLCTSK
SCHEMBL4041842 0.84 CHRNB2 (0.37) CTSSCTSVCTSLCTSKCHRNB2
SCHEMBL4047097 0.83 CTSL (0.33) CTSSCTSVCTSLCTSKGAA
SCHEMBL4039790 0.83 CTSK (0.39) CTSSCTSVCTSLCTSKCHRNB2

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