SCHEMBL8301443

SCHEMBL8301443

O=C(Nc1c(Cl)cncc1Cl)C(=O)c1ccc(OC2CCCC2)c2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.47
PDE4D Q08499 15/20 0.46
PDE4A P27815 13/20 0.46
PDE4C Q08493 13/20 0.46
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL5022733 0.91 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8298189 0.85 PDE4B (0.62) PDE4BPDE4DPDE4APDE4C
SCHEMBL8298275 0.84 CYP19A1 (0.47) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8298827 0.84 PDE4B (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL8298185 0.84 PDE4A (0.46) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8302105 0.83 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8299625 0.83 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8298197 0.80 CYP19A1 (0.47) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL5025269 0.79 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL5022607 0.77 CYP19A1 (0.48) PDE4BPDE4DPDE4APDE4CCYP19A1

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
WO-2004111044-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS:PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-12-23 WO disclosed