SCHEMBL9532096

SCHEMBL9532096

CCOC(=O)N1CCCCc2cc(C3=NNC(=O)SC3C)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.64
PDE3A Q14432 8/20 0.64
KCNH2 Q12809 1/20 0.61
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
GFER P55789 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK1 Q15118 1/20 0.36

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
SCHEMBL9528352 0.91 PDE3B (0.68) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9529826 0.84 PDE3B (0.70) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9038679 0.83 PDE3B (0.70) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9528728 0.81 PDE3B (0.95) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8552796 0.79 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8555995 0.79 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL6792537 0.78 PDE3B (0.67) PDE3BPDE3AKCNH2MAPTTSHR
SCHEMBL9039084 0.78 PDE3B (0.61) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9038866 0.78 PDE3B (0.84) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL4322811 0.78 PDE3B (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294647-B1 THIADIAZINONES MERCK PATENT GmbH (DE) 1993-07-21 EP disclosed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US disclosed
EP-0294647-A2 Thiadiazinones MERCK PATENT GmbH (DE) 1988-12-14 EP disclosed