SCHEMBL7307441

SCHEMBL7307441

C=c1c(=O)[nH]c2n1Cc1cc(OCCC(C(N)=O)N3CCCCC3)ccc1N=2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.57
PDE3A Q14432 14/20 0.57
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
P2RY12 Q9H244 1/20 0.37
ACHE P22303 4/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL7318831 0.99 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317200 0.84 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7316075 0.84 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307453 0.82 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318853 0.81 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307444 0.80 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374967 0.79 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318841 0.79 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374756 0.78 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320282 0.77 PDE3B (0.53) PDE3BPDE3AP2RY12

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed