SCHEMBL7415380

SCHEMBL7415380

COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.76
PDE5A O76074 4/20 0.66
POLB P06746 1/20 0.58
PDE4D Q08499 5/20 0.58
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ABCB1 P08183 2/20 0.49
GAA P10253 1/20 0.49
ABCG2 Q9UNQ0 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
SCHEMBL7415951 0.84 POLB (0.64) HTTPDE5APOLBPDE4DPDE4A
SCHEMBL7413887 0.84 PDE5A (0.67) HTTPDE5APOLBPDE4DPDE4A
SCHEMBL8748848 0.84 PDE4D (0.67) HTTPDE5APOLBPDE4DPDE4A
SCHEMBL8188616 0.81 PDE4D (0.63) PDE5APOLBPDE4DPDE4APDE4B
SCHEMBL7466774 0.81 SETD7 (0.77) HTTPDE5APOLBPDE4DPDE4A
SCHEMBL4347187 0.80 PDE4D (0.66) PDE5APOLBPDE4DPDE4APDE4B
SCHEMBL7423277 0.80 PDE4D (0.78) PDE5APOLBPDE4DPDE4APDE4B
SCHEMBL7337371 0.80 PDE5A (1.00) PDE5APDE4DPDE4APDE4BPDE4C
SCHEMBL8190859 0.79 PDE5A (0.57) HTTPDE5APOLBPDE4DPDE4A
SCHEMBL9526886 0.78 PDE5A (0.83) PDE5APDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096747-A Phenylaminocarbonyl derivatives and processes for their preparation CELLTECH THERAPEUTICS LIMITED (GB) 2000-08-01 US claimed
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP claimed
EP-0607373-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS. CELLTECH LTD (GB) 1994-07-27 EP claimed
WO-1993025517-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH LIMITED (GB) 1993-12-23 WO claimed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-6096747-A Phenylaminocarbonyl derivatives and processes for their preparation CELLTECH THERAPEUTICS LIMITED (GB) 2000-08-01 US disclosed
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5550137-A Phenylaminocarbonyl derivatives CELLTECH THERAPEUTICS LIMITED (GB) 1996-08-27 US disclosed
EP-0607373-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS. CELLTECH LTD (GB) 1994-07-27 EP disclosed
WO-1993025517-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH LIMITED (GB) 1993-12-23 WO disclosed