SCHEMBL7316084

SCHEMBL7316084

C=c1c(=O)[nH]c2n1Cc1cc(OCCCC(=O)NN3CCc4ccccc43)ccc1N=2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.56
PDE3A Q14432 19/20 0.56
P2RY12 Q9H244 1/20 0.40
ACHE P22303 1/20 0.37

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
SCHEMBL7318841 0.85 PDE3B (0.65) PDE3BPDE3AP2RY12
SCHEMBL7307444 0.84 PDE3B (0.67) PDE3BPDE3AP2RY12
SCHEMBL7307774 0.82 PDE3B (0.60) PDE3BPDE3AP2RY12
SCHEMBL10374555 0.80 PDE3B (0.71) PDE3BPDE3AP2RY12
SCHEMBL7304527 0.80 PDE3B (0.57) PDE3BPDE3AP2RY12
SCHEMBL7317183 0.80 PDE3B (0.59) PDE3BPDE3AP2RY12
SCHEMBL7320826 0.80 PDE3B (0.56) PDE3BPDE3AP2RY12
SCHEMBL7316075 0.79 PDE3B (0.49) PDE3BPDE3AP2RY12ACHE
SCHEMBL7319834 0.78 PDE3B (0.58) PDE3BPDE3AP2RY12
SCHEMBL7315783 0.77 PDE3B (0.66) 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