SCHEMBL4049243

SCHEMBL4049243

CC(C)(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.44
CTSS P25774 5/20 0.36
CTSL P07711 4/20 0.36
ELANE P08246 1/20 0.34
RBP4 P02753 1/20 0.32
NAMPT P43490 1/20 0.30
TGM2 P21980 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
SCHEMBL4040451 0.93 CTSK (0.41) CTSKCTSSCTSLELANETGM2
SCHEMBL4042251 0.92 CTSK (0.50) CTSKCTSSCTSL
SCHEMBL4041473 0.88 CTSS (0.41) CTSKCTSSCTSL
SCHEMBL4037824 0.88 CTSK (0.36) CTSKCTSSCTSLELANE
SCHEMBL4050717 0.87 CTSK (0.44) CTSKCTSSCTSLELANERBP4
SCHEMBL4051200 0.86 CTSK (0.44) CTSKCTSSCTSL
SCHEMBL4044151 0.85 CTSK (0.43) CTSKCTSSCTSLELANERBP4
SCHEMBL4045469 0.84 ELANE (0.37) CTSKCTSSCTSLELANE
SCHEMBL4048509 0.83 CTSK (0.38) CTSKELANE
SCHEMBL4045843 0.82 CTSK (0.43) CTSKCTSSCTSLELANETGM2

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