SCHEMBL7016550

SCHEMBL7016550

CC(CCNC(=O)c1ccc(OC(F)F)cc1)CC(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
KMT2A Q03164 2/20 0.41
CTSS P25774 4/20 0.38
CTSV O60911 3/20 0.38
CTSL P07711 3/20 0.38
DPP4 P27487 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7015308 0.95 CTSK (0.46) CTSKKMT2ACTSSCTSVCTSL
SCHEMBL4457853 0.89 PREP (0.47) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7014847 0.87 CTSK (0.44) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4459112 0.87 CTSS (0.50) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4451291 0.86 CTSK (0.56) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7020885 0.86 CTSK (0.43) CTSKKMT2ACTSSCTSVCTSL
SCHEMBL4459438 0.85 CTSK (0.48) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7014652 0.85 CTSK (0.44) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4457938 0.85 CTSS (0.47) CTSKCTSSCTSVCTSLNPC1
SCHEMBL4451932 0.84 CTSK (0.47) CTSKCTSSCTSVCTSL

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