SCHEMBL4429871

SCHEMBL4429871

N#CN1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.61
CTSL P07711 3/20 0.61
CTSB P07858 3/20 0.61
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.46
HTR2C P28335 1/20 0.44
P2RX4 Q99571 2/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PREP P48147 2/20 0.43

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
SCHEMBL3927885 0.99 CTSK (0.60) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL4107743 0.97 CTSK (0.58) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL16612115 0.89 KMT2A (0.58) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL7279646 0.85 KMT2A (0.54) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL9354941 0.82 ALDH1A1 (0.53) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL14030742 0.82 KMT2A (0.54) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL4104897 0.82 CTSK (0.44) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL4425947 0.81 CTSK (0.43) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL9358225 0.81 KMT2A (0.50) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL9358292 0.79 ALDH1A1 (0.53) CTSKCTSLCTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858509-A4 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LTD (GB) 2009-03-18 EP disclosed
EP-1858509-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094003-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2006-09-08 WO disclosed