SCHEMBL8320435

SCHEMBL8320435

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OCC2CC2)c2oc3c(c12)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.50
PDE4A P27815 17/20 0.50
PDE4B Q07343 17/20 0.50
PDE4C Q08493 17/20 0.50
ABCB11 O95342 1/20 0.50

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
SCHEMBL8324241 0.85 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL8325303 0.85 PDE4D (0.64) PDE4DPDE4APDE4BPDE4C
SCHEMBL8327267 0.84 PDE4A (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL8319816 0.84 PDE4D (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL8326243 0.83 PDE4A (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL8324079 0.82 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL5023418 0.82 PDE4B (0.51) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL8324499 0.80 CNR2 (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL8319231 0.76 PDE4D (0.58) PDE4DPDE4APDE4BPDE4C
SCHEMBL8264976 0.73 PDE4D (0.59) PDE4DPDE4APDE4BPDE4C

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-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed