SCHEMBL7011629

SCHEMBL7011629

O=C(O)OC1CCN(c2nc(NCCc3ccc4c(c3)OCO4)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE5A O76074 2/20 0.45
PDE2A O00408 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36

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
SCHEMBL7011066 0.93 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020695 0.91 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8187391 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7012667 0.88 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019844 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7022657 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020070 0.87 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178305 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7017528 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014765 0.84 PDE5A (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed