SCHEMBL5196682

SCHEMBL5196682

COc1ccc(C2CC(=O)N(CC(=O)Nc3ccc(Cl)cc3F)C2)cc1OC1CCCC1.COc1ccc(C2CC(=O)N(CC(=O)Nc3cccc(C)c3)C2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.52
PDE4B Q07343 10/20 0.49
PDE4C Q08493 5/20 0.49
PDE4D Q08499 5/20 0.49
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL3548794 0.92 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL3540908 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3544816 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3548834 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL3550271 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL3546697 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL3541142 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5194306 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL27600683 0.81 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3543809 0.80 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed