SCHEMBL15652016

SCHEMBL15652016

CC(O)(C=O)CN1CCN(CCOc2ccc(N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 3/20 0.53
PSMB5 P28074 3/20 0.53
PSMB2 P49721 3/20 0.53
LTA4H P09960 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
KDM4E B2RXH2 2/20 0.49
DRD3 P35462 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KCNA5 P22460 2/20 0.44
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL15652015 0.79 HRH2 (0.59) PSMB1PSMB5PSMB2LTA4HPTGS1
SCHEMBL188931 0.78 MAPT (0.54) KDM4EMEN1KMT2ADRD2ALDH1A1
SCHEMBL76551 0.76 LTA4H (0.69) PSMB1PSMB5PSMB2LTA4HPTGS1
SCHEMBL15542624 0.75 LTA4H (0.67) LTA4HPTGS1PTGS2KDM4EDRD3
SCHEMBL14204014 0.75 LTA4H (0.67) PSMB1PSMB5PSMB2LTA4HPTGS1
SCHEMBL15651282 0.75 LTA4H (0.67) PSMB1PSMB5PSMB2LTA4HPTGS1
SCHEMBL14453658 0.75 DRD3 (0.54) LTA4HPTGS1PTGS2DRD3KCNA5
SCHEMBL15651574 0.73 LTA4H (0.60) PSMB1PSMB5PSMB2LTA4HPTGS1
SCHEMBL56495 0.73 LTA4H (0.90) PSMB1PSMB5PSMB2LTA4HPTGS1
SCHEMBL15651047 0.72 LTA4H (0.55) PSMB1PSMB5PSMB2LTA4HPTGS1

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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed