SCHEMBL6661417

SCHEMBL6661417

[CH2]CCCCCN(C(=O)OCc1ccccc1)C(N)=NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AOC3 Q16853 6/20 0.34
TGM2 P21980 1/20 0.34
PLAU P00749 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL989683 0.94 CCR6 (0.45) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL7358565 0.90 CCR6 (0.39) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL8039587 0.89 CCR6 (0.42) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL7242187 0.88 HTT (0.42) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL8029844 0.88 HTT (0.42) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL7352897 0.87 HTT (0.43) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL7359299 0.86 HTT (0.44) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL7355382 0.83 HTT (0.43) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL6827318 0.83 CTSL (0.39) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL9228435 0.80 ALDH1A1 (0.41) CCR6PAX8ALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200457-B1 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2004-08-25 EP claimed
US-6635621-B1 Alpha amino acid amide derivatives; reducing cathepsins B, L, S and/or K activity NAEJA PHARMACEUTICAL INC. (CA) 2003-10-21 US claimed
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US claimed
EP-1200457-B1 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2004-08-25 EP disclosed
US-6635621-B1 Alpha amino acid amide derivatives; reducing cathepsins B, L, S and/or K activity NAEJA PHARMACEUTICAL INC. (CA) 2003-10-21 US disclosed
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US disclosed
EP-1165506-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-01-02 EP disclosed
WO-2000059881-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2000-10-12 WO disclosed