SCHEMBL4720784

SCHEMBL4720784

COc1cc(C)cc(-c2nn(-c3cc(Br)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
GRM7 Q14831 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CRHR1 P34998 1/20 0.30
EGFR P00533 1/20 0.30
XDH P47989 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL4719190 0.94 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4722014 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4720223 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL14101906 0.88 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4722238 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL14101702 0.87 F10 (0.40) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL4720663 0.86 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4721150 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4719764 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4723635 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DGRM7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed