SCHEMBL7960463

SCHEMBL7960463

COC(=O)c1ccc(C2=N[C@@H]3CCCC[C@@H]3c3cc(OC(F)F)c(OC)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.47
PDE4B Q07343 13/20 0.47
PDE4A P27815 6/20 0.47
PDE4C Q08493 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7205164 0.92 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL5056368 0.92 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL7400096 0.92 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL5057946 0.92 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL5063706 0.87 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL5061811 0.86 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL5061814 0.86 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL6384297 0.85 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL3470159 0.85 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL2881473 0.84 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C

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-6191138-B1 THERAPY FOR RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-20 US disclosed