SCHEMBL11314741

SCHEMBL11314741

CN1C(=O)CC(C)(C)c2cc(C3=NNC(=O)CC3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.71
PDE4B Q07343 7/20 0.71
PDE4C Q08493 7/20 0.71
PDE4D Q08499 7/20 0.71
PDE3B Q13370 17/20 0.60
PDE3A Q14432 17/20 0.60
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7427721 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11318875 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10597216 0.78 PDE3B (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11317512 0.78 PDE3B (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7483850 0.78 PDE3B (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11082523 0.76 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11314887 0.76 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11328059 0.75 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11093447 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9730914 0.73 PDE3B (0.84) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 US disclosed