SCHEMBL4049326

SCHEMBL4049326

CCCC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.42
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
TGM2 P21980 1/20 0.34
PDE5A O76074 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
GRM5 P41594 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CCR1 P32246 1/20 0.30
ABCB1 P08183 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL4046026 0.92 CTSK (0.51) CTSKCTSSCTSLALDH1A1
SCHEMBL4039641 0.88 CTSK (0.34) CTSKPREPFAPP2RY12
SCHEMBL4045843 0.88 CTSK (0.43) CTSKCTSSCTSLPREPFAP
SCHEMBL4045942 0.87 CTSK (0.41) CTSKCTSSCTSLPREPFAP
SCHEMBL4043756 0.87 CTSK (0.40) CTSKCTSSCTSLPREPFAP
SCHEMBL4045748 0.86 CTSK (0.51) CTSKCTSSCTSLALDH1A1
SCHEMBL4051191 0.86 CTSK (0.37) CTSKCTSSCTSL
SCHEMBL4040451 0.85 CTSK (0.41) CTSKCTSSCTSLPREPFAP
SCHEMBL4041899 0.85 CTSK (0.39) CTSKCTSSCTSLPREPFAP
SCHEMBL4041407 0.84 TGM2 (0.48) CTSKCTSSCTSLTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed