SCHEMBL8556771

SCHEMBL8556771

CCOc1cc(C(=O)N2CCC(C)(C)c3cc(C4=NNC(=O)SC4C)ccc32)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.64
PDE3A Q14432 7/20 0.64
KCNH2 Q12809 1/20 0.55
PDE4B Q07343 8/20 0.42
PDE4A P27815 7/20 0.42
PDE4C Q08493 7/20 0.42
PDE4D Q08499 7/20 0.42
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
FPR2 P25090 2/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL8551918 0.97 PDE3B (0.64) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL2779004 0.94 PDE3B (0.71) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL8557091 0.89 PDE3B (0.63) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL9638620 0.86 KCNH2 (0.75) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL9638626 0.86 KCNH2 (0.75) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL9672631 0.85 PDE3B (0.59) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL8555995 0.85 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL9672622 0.85 KCNH2 (0.62) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL9672618 0.85 KCNH2 (0.62) PDE3BPDE3AKCNH2PDE4BPDE4A
SCHEMBL9638381 0.84 KCNH2 (0.65) PDE3BPDE3AKCNH2PDE4BPDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721950-B1 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GMBH (DE) 1998-05-06 EP disclosed
EP-0721950-A2 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-17 EP disclosed