SCHEMBL7389479

SCHEMBL7389479

CSc1ncc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.65
PDE4B Q07343 16/20 0.65
PDE4A P27815 15/20 0.65
PDE4C Q08493 15/20 0.65
ABCB11 O95342 1/20 0.46
GFER P55789 1/20 0.46
CYP2B6 P20813 1/20 0.42

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
SCHEMBL7353934 0.87 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL70380 0.84 PDE4D (0.72) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7355660 0.83 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7390353 0.81 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7421279 0.80 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7361220 0.80 PDE4B (0.40) PDE4DPDE4BPDE4APDE4C
Piclamilast SCHEMBL26573 0.79 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL70032 0.79 PDE4B (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7379219 0.78 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL15085259 0.78 PDE4D (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed