SCHEMBL14456041

SCHEMBL14456041

COc1ccc(C(=O)Nc2c(Cl)cncc2I)cc1OC1CCCC1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.88
PDE4A P27815 9/20 0.88
PDE4B Q07343 9/20 0.88
PDE4C Q08493 9/20 0.88
PDE5A O76074 4/20 0.57
PDE1A P54750 2/20 0.56
PDE1B Q01064 2/20 0.56
PDE1C Q14123 2/20 0.56
CYP2B6 P20813 1/20 0.55

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
Piclamilast SCHEMBL26573 0.94 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7335911 0.93 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7359687 0.89 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7341113 0.86 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7336534 0.86 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7336538 0.86 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7332633 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7354173 0.85 PDE4D (0.83) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7341572 0.84 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CPDE5A
Piclamilast SCHEMBL2723503 0.84 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6

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-1813284-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 EP disclosed