SCHEMBL11323239

SCHEMBL11323239

CC1CC(=O)NN=C1c1ccc2c(c1)C(C)CC(=O)N2

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.69
PDE3A Q14432 16/20 0.69
PDE4A P27815 4/20 0.64
PDE4B Q07343 4/20 0.64
PDE4C Q08493 4/20 0.64
PDE4D Q08499 4/20 0.64
GALR3 O60755 2/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL11088031 0.84 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10644858 0.84 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10902917 0.83 PDE3B (0.79) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11089162 0.82 PDE4A (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10902870 0.82 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.81 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10625965 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL121664 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL29605229 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16156959 0.79 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C

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