SCHEMBL8557091

SCHEMBL8557091

COc1cc(C(=O)N2CCC(C)(C)c3cc(C4=NNC(=O)SC4C)ccc32)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.63
PDE3A Q14432 6/20 0.63
KCNH2 Q12809 1/20 0.51
PDE4A P27815 7/20 0.44
PDE4B Q07343 7/20 0.44
PDE4C Q08493 7/20 0.44
PDE4D Q08499 7/20 0.44
RORC P51449 1/20 0.35
ROCK2 O75116 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV6 Q9H1D0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL2779004 0.94 PDE3B (0.71) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8556771 0.89 PDE3B (0.64) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8551918 0.89 PDE3B (0.64) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9672631 0.85 PDE3B (0.59) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9672622 0.84 KCNH2 (0.62) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9672618 0.84 KCNH2 (0.62) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8553283 0.84 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638770 0.82 KCNH2 (0.60) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638626 0.82 KCNH2 (0.75) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638620 0.82 KCNH2 (0.75) 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