SCHEMBL7316240

SCHEMBL7316240

O=C1NC2=Nc3ccc(OCCCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3CN2C1CO

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.71
PDE3A Q14432 20/20 0.71
P2RY12 Q9H244 1/20 0.49

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
SCHEMBL7316912 0.92 PDE3B (0.63) PDE3BPDE3A
SCHEMBL7310486 0.87 PDE3B (0.73) PDE3BPDE3AP2RY12
SCHEMBL7312688 0.85 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7313992 0.85 PDE3B (0.72) PDE3BPDE3AP2RY12
SCHEMBL7318780 0.84 PDE3B (0.69) PDE3BPDE3A
SCHEMBL7317020 0.84 PDE3B (0.51) PDE3BPDE3A
SCHEMBL10375034 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12
SCHEMBL7318813 0.82 PDE3B (0.85) PDE3BPDE3AP2RY12
SCHEMBL7318826 0.82 PDE3B (0.58) PDE3BPDE3A
SCHEMBL10844200 0.82 PDE3B (0.67) 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