SCHEMBL6237514

SCHEMBL6237514

CCCC(NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.46
CTSL P07711 4/20 0.46
CTSS P25774 4/20 0.46
CTSB P07858 2/20 0.46
PREP P48147 3/20 0.43
FAP Q12884 3/20 0.43
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4044582 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBPREP
SCHEMBL6210696 0.88 CTSK (0.51) CTSKCTSLCTSSPREPFAP
SCHEMBL4053535 0.87 CTSK (0.59) CTSKCTSLCTSSPREPFAP
SCHEMBL4037909 0.85 CTSK (0.55) CTSKCTSLCTSSPREPFAP
SCHEMBL6236601 0.84 CTSK (0.48) CTSKCTSLCTSSCTSBPREP
SCHEMBL6211734 0.84 CTSK (0.57) CTSKCTSLCTSSPREPFAP
SCHEMBL4041248 0.84 CTSK (0.55) CTSKCTSLCTSSPREPFAP
SCHEMBL4044295 0.84 CTSK (0.66) CTSKCTSLCTSSPREPFAP
SCHEMBL4043597 0.83 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4040591 0.83 CTSK (0.53) CTSKCTSLCTSSPREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed