SCHEMBL4049994

SCHEMBL4049994

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)Oc1cccc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
CTSL P07711 3/20 0.36
CTSS P25774 3/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4043722 0.93 CTSK (0.40) CTSKCTSLCTSSFNTAFNTB
SCHEMBL4040381 0.89 MC4R (0.36) CTSKCTSLCTSSFNTAFNTB
SCHEMBL4044198 0.86 CTSL (0.42) CTSKCTSLCTSSALDH1A1GAA
SCHEMBL4043883 0.86 CTSK (0.42) CTSKCTSLCTSSFNTAFNTB
SCHEMBL4048142 0.85 GAA (0.36) CTSKCTSLCTSSFNTAFNTB
SCHEMBL6210598 0.83 CTSL (0.45) CTSKCTSLCTSSMC4RMC3R
SCHEMBL4041745 0.82 CNR1 (0.39) CTSKCTSLCTSSALDH1A1L3MBTL1
SCHEMBL8348202 0.82 CTSK (0.51) CTSKCTSLCTSSACE2
SCHEMBL4042222 0.82 CNR1 (0.34) CTSKCTSLCTSSFNTAFNTB
SCHEMBL4044603 0.82 MC4R (0.37) CTSKCTSLCTSSFNTAFNTB

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