SCHEMBL7018945

SCHEMBL7018945

CCOC(=O)OC1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3cc(CC)sc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
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
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
PPP1CA P62136 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
CTNNB1 P35222 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
SCHEMBL7016265 0.95 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7011749 0.93 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7017346 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016253 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015224 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177672 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7012151 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018291 0.89 PDE5A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018974 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015667 0.88 CTNNB1 (0.48) 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