SCHEMBL873480

SCHEMBL873480

CCN(CC)CCOc1ccc(CCCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
LTA4H P09960 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
BIRC5 O15392 1/20 0.56
KCNH2 Q12809 1/20 0.52
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HRH3 Q9Y5N1 2/20 0.51
MCHR1 Q99705 1/20 0.50
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL3973648 0.89 CYP1A2 (0.62) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL16625857 0.88 MEN1 (0.48)
SCHEMBL873540 0.86 CYP1A2 (0.62) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL16572299 0.85 MEN1 (0.51)
SCHEMBL874547 0.84 HRH3 (0.70) LTA4HKCNH2HRH3KEAP1NFE2L2
SCHEMBL23928199 0.84 HRH3 (0.56) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL16572359 0.84 MEN1 (0.50)
SCHEMBL25193393 0.83 KCNH2 (0.62) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL10898516 0.82 CYP1A2 (0.66) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL2424129 0.82 KEAP1 (0.69) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19

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