SCHEMBL9528352

SCHEMBL9528352

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.68
PDE3A Q14432 7/20 0.68
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 1/20 0.48
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.37
HSD17B10 Q99714 1/20 0.36
FBP1 P09467 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
NOTUM Q6P988 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9532096 0.91 PDE3B (0.64) PDE3BPDE3AKCNH2KDM4EPDE4A
SCHEMBL9529826 0.86 PDE3B (0.70) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9038679 0.84 PDE3B (0.70) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9528728 0.84 PDE3B (0.95) PDE3BPDE3AKCNH2KDM4EPDE4A
SCHEMBL4322811 0.81 PDE3B (1.00) PDE3BPDE3AKCNH2KDM4EPDE4A
SCHEMBL29424272 0.81 PDE3B (1.00) PDE3BPDE3AKCNH2KDM4EPDE4A
SCHEMBL9038866 0.81 PDE3B (0.84) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8553283 0.80 PDE3B (0.88) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL6792537 0.80 PDE3B (0.67) PDE3BPDE3AKCNH2CYP11B2MEN1
SCHEMBL9039084 0.79 PDE3B (0.61) 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-0294647-B1 THIADIAZINONES MERCK PATENT GmbH (DE) 1993-07-21 EP disclosed
EP-0358290-B1 2-Oxa-bicyclo[2.2.1]heptane derivatives and medicines containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed