SCHEMBL7015609

SCHEMBL7015609

O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.62
PDE4B Q07343 2/20 0.62
PDE4C Q08493 2/20 0.62
PDE4D Q08499 2/20 0.62
PDE5A O76074 2/20 0.54
PDE2A O00408 1/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 6/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8179966 0.95 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177876 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171969 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015052 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180480 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180369 0.87 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171021 0.87 PDE5A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8170158 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184394 0.86 PTPN12 (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5776791 0.86 ALDH1A1 (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 claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed