SCHEMBL5511192

SCHEMBL5511192

CC(=O)NCCNCCOc1ccc(Cl)c2c1C1(C[CH]CCC1)NC(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 19/20 0.61
PDE4D Q08499 16/20 0.61
PDE1A P54750 12/20 0.61
PDE1B Q01064 12/20 0.61
PDE1C Q14123 12/20 0.61
PDE7B Q9NP56 4/20 0.54
PDE5A O76074 5/20 0.52
PDE3A Q14432 5/20 0.50

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
SCHEMBL4253220 0.90 PDE7A (0.75) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5109597 0.77 PDE7A (0.82) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL4257975 0.75 PDE7A (0.84) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5115877 0.71 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5113961 0.69 PDE7A (0.79) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL20694154 0.68 PDE7A (0.78) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5510700 0.65 PDE7A (0.41) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL20649723 0.65 PDE7B (1.00) PDE7B
SCHEMBL8245267 0.65 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL299266 0.63 PDE7A (0.42) PDE7APDE4DPDE1APDE1BPDE1C

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-1855686-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Pfizer Limited (GB) 2007-11-21 EP disclosed
WO-2006092691-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO disclosed
WO-2006092692-A1 USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO disclosed