SCHEMBL8978342

SCHEMBL8978342

CCc1nc(N)n(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc(C(C)C)nc1-2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.44
PDE4A P27815 13/20 0.44
PDE4C Q08493 10/20 0.44
PDE4D Q08499 10/20 0.44
SSTR5 P35346 1/20 0.39
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
Hydrochloric Acid SCHEMBL7032971 0.99 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DSSTR5
SCHEMBL7752296 0.85 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DSSTR5
SCHEMBL1918433 0.79 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL30074724 0.79 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL2466397 0.78 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7676524 0.77 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DSSTR5
Hydrochloric Acid SCHEMBL4014079 0.77 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2466399 0.75 PDE4A (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL6155940 0.75 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL6155742 0.75 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D

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
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed