SCHEMBL7354173

SCHEMBL7354173

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCOCC1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.83
PDE4A P27815 12/20 0.83
PDE4B Q07343 12/20 0.83
PDE4C Q08493 12/20 0.83
CYP2B6 P20813 1/20 0.58
ABCB11 O95342 1/20 0.52
PDE5A O76074 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49

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
SCHEMBL7361858 0.94 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7354074 0.94 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7362470 0.94 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
Piclamilast SCHEMBL26573 0.91 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7335911 0.90 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7336538 0.89 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7336534 0.89 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7341113 0.89 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7355815 0.88 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL70770 0.86 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CCYP2B6

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 8 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-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 WO disclosed
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