SCHEMBL6988909

SCHEMBL6988909

NC(=O)C(C(=O)NC12CCCC1OCC2=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.39
LMNA P02545 1/20 0.34
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31

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
SCHEMBL6383837 0.80 ROCK2 (0.38) SLC6A3
SCHEMBL6992764 0.78 HPGD (0.39) SLC6A3LMNATAOK1TAOK3
SCHEMBL6996937 0.76 TP53 (0.40) SLC6A3LMNA
SCHEMBL6986470 0.75 HPGD (0.38) SLC6A3LMNA
SCHEMBL7144829 0.73 TRPV1 (0.42) TAOK1TAOK3
SCHEMBL6300344 0.73 EPHX1 (0.33)
SCHEMBL6294295 0.70 CTSL (0.40)
SCHEMBL6699255 0.70 CTSL (0.40)
SCHEMBL6695685 0.70 CTSB (0.45)
SCHEMBL6991868 0.69 CTSL (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed