SCHEMBL8552796

SCHEMBL8552796

CCOc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)SC4C)ccc32)cc1OC

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.88
PDE3A Q14432 1/20 0.88
KCNH2 Q12809 1/20 0.73
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
NR3C1 P04150 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
RORC P51449 1/20 0.39
ROCK2 O75116 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL8555995 0.97 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL29424272 0.94 PDE3B (1.00) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL4322811 0.94 PDE3B (1.00) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9528728 0.91 PDE3B (0.95) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8553283 0.89 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9038866 0.87 PDE3B (0.84) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8551918 0.85 PDE3B (0.64) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9639330 0.85 KCNH2 (1.00) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9639332 0.85 KCNH2 (1.00) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9670657 0.83 KCNH2 (0.84) PDE3BPDE3AKCNH2PDE4APDE4B

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