SCHEMBL7020985

SCHEMBL7020985

O=C(NCCCCC(=O)N1CCC2OCC(=O)C21)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
TSHR P16473 1/20 0.45
CTSS P25774 4/20 0.44
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
DPP4 P27487 8/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL7019711 0.89 LMNA (0.52) CTSKCTSSCTSVCTSLNPC1
SCHEMBL7024341 0.87 NAMPT (0.48) CTSKCTSSCTSVCTSLDRD2
SCHEMBL7017128 0.85 CTSK (0.44) CTSKCTSSCTSVCTSLNPC1
SCHEMBL7021109 0.83 CTSK (0.41) CTSKCTSSCTSVCTSLNPC1
SCHEMBL4452660 0.83 CTSK (0.49) CTSKTSHRCTSSCTSVCTSL
SCHEMBL7016446 0.81 HDAC1 (0.48) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7014847 0.78 CTSK (0.44) CTSKTSHRCTSSCTSVCTSL
SCHEMBL7023221 0.76 HDAC3 (0.41) CTSKCTSSCTSVCTSLDRD2
SCHEMBL4446769 0.74 CTSS (0.44) CTSKCTSSCTSVCTSLNPC1
SCHEMBL4459563 0.74 CTSK (0.65) CTSKTSHRCTSSCTSVCTSL

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-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed