SCHEMBL3345688

SCHEMBL3345688

COc1cc(C2CCCCN2CC=O)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFB P00751 5/20 0.41
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 1/20 0.38
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 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
SCHEMBL3348766 0.77 PDE4B (0.39) PDE4B
SCHEMBL3345349 0.77 QDPR (0.45) PDE4BDRD2
SCHEMBL3345716 0.76 PDE4B (0.45) PDE4BDRD2DRD3
SCHEMBL3312815 0.76 SMN1; SMN2 (0.48) GAAPDE4BMAPTCRHBPCRHR2
SCHEMBL12125064 0.73 MAPK1 (0.53) CFBDRD2DRD3MAPTCRHBP
SCHEMBL2503891 0.72 PDE4B (0.49) PDE4BMAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL28795393 0.71 ALDH1A1 (0.39) MAPTCRHBPCRHR2SMN1; SMN2MAPK1
SCHEMBL6599141 0.71 HRH3 (0.43) GAAMAPT
SCHEMBL27715450 0.69 ALDH1A1 (0.48) PDE4B
SCHEMBL18394286 0.68 PDE4B (0.37) PDE4BDRD3

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed