SCHEMBL8170200

SCHEMBL8170200

O=C(O)C1CCC(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)sc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
PDE5A O76074 8/20 0.48
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8182496 0.91 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
Bicarbonate SCHEMBL7017137 0.90 LMNA (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8172347 0.90 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179265 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179416 0.87 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171876 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8169722 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8185677 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8185511 0.86 PDE10A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8187683 0.85 PDE10A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed