SCHEMBL8342117

SCHEMBL8342117

CNC1CCN(C(=O)CNC(C)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.45
DPP4 P27487 1/20 0.45
PREP P48147 1/20 0.45
EPHX2 P34913 5/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
JUN P05412 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8486131 0.84 EPHX2 (0.44) EPHX2ALDH1A1JUNCDK2MAPK8
SCHEMBL23573320 0.83 EPHX2 (0.45) FAPDPP4PREPEPHX2ALDH1A1
SCHEMBL20124162 0.82 SMN1; SMN2 (0.41) EPHX2ALDH1A1MEN1TSHRKMT2A
SCHEMBL12436977 0.81 FAP (0.46) FAPDPP4PREPALDH1A1MEN1
SCHEMBL14115757 0.81 GNAI3 (0.49) FAPDPP4PREPALDH1A1MEN1
SCHEMBL24272052 0.79 L3MBTL1 (0.47) FAPDPP4PREPALDH1A1MEN1
SCHEMBL8485640 0.78 EPHX2 (0.45) EPHX2ALDH1A1NPC1EPHX1
SCHEMBL12507086 0.78 EPHX2 (0.62) EPHX2EPHX1
SCHEMBL4757596 0.78 FAP (0.44) FAPDPP4PREPALDH1A1MEN1
SCHEMBL17642627 0.78 FAP (0.44) FAPDPP4PREPALDH1A1MEN1

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-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed