SCHEMBL7218368

SCHEMBL7218368

CCOc1ccc(C2=NN(Cc3ccc([N+](=O)[O-])cc3)C(=O)CC2CC)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.50
PDE4D Q08499 9/20 0.50
PDE4A P27815 8/20 0.50
PDE4C Q08493 8/20 0.50
DRD4 P21917 1/20 0.41
CCR5 P51681 2/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
MITF O75030 1/20 0.38
RECQL P46063 1/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6655858 0.95 PDE4D (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL6653576 0.95 PDE4D (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL6656644 0.90 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL6657268 0.90 PDE4D (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL6843999 0.89 PDE4B (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL7216190 0.86 PDE4D (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6657886 0.86 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6843996 0.84 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL6662652 0.84 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL6841935 0.84 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C

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
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed