SCHEMBL9229630

SCHEMBL9229630

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)C(F)F)c(OC2CCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.74
PDE4B Q07343 18/20 0.74
PDE4A P27815 10/20 0.74
PDE4C Q08493 10/20 0.74
ABCB11 O95342 1/20 0.61

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
SCHEMBL2888064 0.92 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL29824395 0.92 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
Piclamilast SCHEMBL26573 0.85 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
SCHEMBL28899604 0.85 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7358997 0.85 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7335911 0.85 PDE4D (0.98) PDE4DPDE4BPDE4APDE4C
SCHEMBL15085259 0.83 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7379219 0.83 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7419170 0.83 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7422378 0.83 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11

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-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP claimed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO claimed