SCHEMBL5510700

SCHEMBL5510700

C[S+]([O-])COc1ccc(F)c2c1C1(C[CH]CCC1)NC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.41
PDE4D Q08499 15/20 0.41
PDE1A P54750 11/20 0.41
PDE1B Q01064 11/20 0.41
PDE1C Q14123 11/20 0.41
PDE7B Q9NP56 4/20 0.41
PDE5A O76074 4/20 0.41
PDE3A Q14432 4/20 0.39

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
SCHEMBL4246900 0.89 PDE7A (0.53) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL4246621 0.78 PDE7A (0.55) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL4246426 0.76 PDE7A (0.71) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5104838 0.71 PDE7A (0.55) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5116939 0.70 PDE7A (0.72) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5115313 0.69 PDE7A (0.57) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL2680154 0.66 PDE7A (0.55) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL3952083 0.66 PDE7A (0.50) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5511192 0.65 PDE7A (0.61) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL291618 0.64 PDE7A (0.53) 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 2 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