SCHEMBL874130

SCHEMBL874130

NCCCCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.68
LTA4H P09960 9/20 0.67
PSMB1 P20618 1/20 0.63
PSMB5 P28074 1/20 0.63
PSMB2 P49721 1/20 0.63
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
ACHE P22303 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL15876475 0.89 LTA4H (0.72) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL23291141 0.88 PSMB1 (0.71) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL15876462 0.88 PSMB1 (0.71) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL874183 0.87 LTA4H (0.61) HRH3LTA4H
SCHEMBL23291204 0.86 LTA4H (0.68) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL4392386 0.85 HRH3 (0.79) HRH3LTA4HACHERAD52
SCHEMBL23291161 0.84 HRH3 (0.82) HRH3ACHERAD52
SCHEMBL876980 0.84 LTA4H (0.75) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL6947417 0.83 PSMB1 (0.73) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL23291305 0.83 LTA4H (0.62) HRH3LTA4HPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed