SCHEMBL4050441

SCHEMBL4050441

CCCC(NC(=O)Oc1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
PREP P48147 5/20 0.38
FAP Q12884 5/20 0.38
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TGM2 P21980 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4041529 0.92 CTSK (0.47) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL4042558 0.92 CTSK (0.39) CTSKPREPFAPCTSLCTSS
SCHEMBL4040090 0.89 PREP (0.36) CTSKPREPFAPCTSLCTSS
SCHEMBL4050878 0.89 CTSK (0.38) CTSKPREPFAPCTSLCTSS
SCHEMBL4043247 0.86 CTSK (0.39) CTSKPREPFAPCTSLCTSS
SCHEMBL4045830 0.85 CTSK (0.39) CTSKPREPFAPCTSLCTSS
SCHEMBL4040800 0.85 PREP (0.36) CTSKPREPFAPCTSLCTSS
SCHEMBL4040431 0.84 CHRNB2 (0.37) CTSKPREPFAPHTTSMN1; SMN2
SCHEMBL4044465 0.83 CTSK (0.43) CTSKPREPFAPCTSLCTSS
SCHEMBL4045843 0.83 CTSK (0.43) CTSKPREPFAPCTSLCTSS

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