SCHEMBL7319841

SCHEMBL7319841

NC(=O)CCC(Oc1ccc2c(c1)CN1C(=N2)NC(=O)C1CO)N1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.48
PDE3A Q14432 20/20 0.48
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL7309048 0.85 PDE3B (0.54) PDE3BPDE3AP2RY12
SCHEMBL7319827 0.85 PDE3B (0.51) PDE3BPDE3AP2RY12
SCHEMBL7312202 0.84 PDE3B (0.55) PDE3BPDE3A
SCHEMBL7313143 0.83 PDE3B (0.50) PDE3BPDE3AP2RY12
SCHEMBL7308814 0.81 PDE3B (0.52) PDE3BPDE3AP2RY12
SCHEMBL7320610 0.80 PDE3B (0.34) PDE3BPDE3A
SCHEMBL7316094 0.78 PDE3B (0.45) PDE3BPDE3A
SCHEMBL7319834 0.77 PDE3B (0.58) PDE3BPDE3AP2RY12
SCHEMBL7318278 0.73 PDE3B (0.50) PDE3BPDE3AP2RY12
SCHEMBL7309032 0.72 PDE3B (0.58) 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