SCHEMBL7017528

SCHEMBL7017528

O=C(O)OC1CCN(c2nc(NCCc3ccc4c(c3)OCO4)c3cc(C(F)(F)F)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 0.44
PDE2A O00408 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
FLT1 P17948 3/20 0.42
KDR P35968 2/20 0.42
TRPV1 Q8NER1 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
KDM4E B2RXH2 4/20 0.37
FAAH O00519 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BCDIN3D Q7Z5W3 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
SCHEMBL7011893 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015604 0.92 FLT1 (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179808 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020070 0.90 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019844 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7022657 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015105 0.88 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184079 0.87 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7011629 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016442 0.84 PDE4A (0.49) 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