SCHEMBL4722762

SCHEMBL4722762

COc1cc(OC)cc(-c2nn(-c3cc(N4CCOCC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
GAK O14976 1/20 0.36
BRAF P15056 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
SCHEMBL4724195 0.94 F10 (0.42) F10F2PDE4APDE4BPDE4C
SCHEMBL4724509 0.94 PDE4A (0.41) F10F2PDE4APDE4BPDE4C
SCHEMBL4722495 0.93 F10 (0.44) F10F2PDE4APDE4BPDE4C
SCHEMBL4721093 0.89 PDE4A (0.37) F10F2PDE4APDE4BPDE4C
SCHEMBL14101702 0.89 F10 (0.40) F10F2PDE4APDE4BPDE4C
SCHEMBL4723702 0.88 ALK (0.40) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL4722548 0.87 PDE4A (0.37) F10F2PDE4APDE4BPDE4C
SCHEMBL4721967 0.87 PDE4A (0.38) F10F2PDE4APDE4BPDE4C
SCHEMBL4722660 0.86 PDE4A (0.37) F10F2PDE4APDE4BPDE4C
SCHEMBL14102036 0.86 F10 (0.40) F10F2PDE4APDE4BPDE4C

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