SCHEMBL7016904

SCHEMBL7016904

O=C(O)OC1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)sc3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.60
PDE4B Q07343 2/20 0.60
PDE4C Q08493 2/20 0.60
PDE4D Q08499 2/20 0.60
PDE5A O76074 5/20 0.58
PDE2A O00408 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PDE1C Q14123 1/20 0.58
KDM4E B2RXH2 5/20 0.43
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GALR2 O43603 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL7016616 0.95 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019844 0.92 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013552 0.91 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018551 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7008986 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183503 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7011893 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7011066 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020576 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7017050 0.87 HRH4 (0.50) CTNNB1TCF7L2

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