SCHEMBL7337828

SCHEMBL7337828

COc1ccc(C(=O)Nc2ccccc2C#N)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 1.00
PDE1A P54750 2/20 1.00
PDE1B Q01064 2/20 1.00
PDE1C Q14123 2/20 1.00
PDE4D Q08499 14/20 0.72
PDE4A P27815 10/20 0.72
PDE4B Q07343 10/20 0.72
PDE4C Q08493 10/20 0.72
EPHX2 P34913 1/20 0.56

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
SCHEMBL7351773 0.87 PDE5A (0.77) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7334418 0.87 PDE4D (0.81) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7335104 0.85 PDE4D (0.78) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7334985 0.84 PDE4D (0.77) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7336803 0.84 PDE4D (1.00) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7334642 0.84 PDE4D (1.00) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL69339 0.84 PDE5A (0.72) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7339100 0.83 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7336519 0.83 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL73091 0.83 PDE4D (0.75) PDE5APDE1APDE1BPDE1CPDE4D

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US claimed
EP-0497564-B1 Benzamides RHONE POULENC RORER LTD (GB) 1995-12-27 EP claimed
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0497564-B1 Benzamides RHONE POULENC RORER LTD (GB) 1995-12-27 EP disclosed
EP-0669311-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1995-08-30 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
EP-0569414-A1 BENZAMIDES RHONE-POULENC RORER LIMITED (GB) 1993-11-18 EP disclosed
WO-1992012961-A1 BENZAMIDES RHONE POULENC RORER LIMITED (GB) 1992-08-06 WO disclosed
EP-0497564-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1992-08-05 EP disclosed