SCHEMBL4722944

SCHEMBL4722944

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

nearest known ligand 0.38

Predicted protein targets (top 17)

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
CNR2 P34972 4/20 0.34
AR P10275 2/20 0.34
F10 P00742 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CNR1 P21554 2/20 0.32
GRM7 Q14831 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
LRRK2 Q5S007 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL4720073 0.92 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4720922 0.91 F10 (0.39) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4724043 0.89 F10 (0.42) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4720857 0.89 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4720454 0.88 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4721150 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4722165 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4720740 0.88 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4721102 0.88 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL14101739 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DCNR2

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