SCHEMBL7359762

SCHEMBL7359762

COc1ncc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCOC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.56
PDE4B Q07343 11/20 0.56
PDE4A P27815 9/20 0.56
PDE4C Q08493 9/20 0.56
CYP2B6 P20813 1/20 0.44
ABCB11 O95342 1/20 0.44
POLQ O75417 2/20 0.41
SCN9A Q15858 1/20 0.41
LRRK2 Q5S007 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL7356931 0.89 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL70380 0.87 PDE4D (0.72) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7353934 0.86 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7362470 0.85 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7361858 0.85 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7354074 0.85 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7357686 0.85 GRM5 (0.42) PDE4DPDE4BPDE4APDE4CPOLQ
SCHEMBL7358102 0.83 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7352793 0.83 BRD4 (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7363509 0.83 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CLRRK2

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 6 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 claimed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP claimed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO claimed
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