SCHEMBL5197302

SCHEMBL5197302

COc1ccc(C2CC(=O)N(CC(=O)N(C)c3nc4ccc(F)cc4s3)C2)cc1OC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.41
PDE4B Q07343 9/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CLK1 P49759 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3549287 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL5756596 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL3544460 0.83 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DCYP2C19
SCHEMBL3547855 0.83 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL3552710 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL5759950 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL3554673 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCLK1
SCHEMBL3550381 0.82 CLK1 (0.41) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL5196945 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCLK1
SCHEMBL4467048 0.80 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D

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