SCHEMBL7304527

SCHEMBL7304527

C=c1c(=O)[nH]c2n1Cc1cc(OCCCCC(=O)NN3CCOCC3)ccc1N=2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.57
PDE3A Q14432 16/20 0.57
P2RY12 Q9H244 2/20 0.41
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
PDE2A O00408 1/20 0.38

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
SCHEMBL7307774 0.97 PDE3B (0.60) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7318841 0.89 PDE3B (0.65) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7307444 0.89 PDE3B (0.67) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7304518 0.81 PDE3B (0.54) PDE3BPDE3AP2RY12
SCHEMBL7320257 0.81 PDE3B (0.56) PDE3BPDE3AP2RY12
SCHEMBL7316084 0.80 PDE3B (0.56) PDE3BPDE3AP2RY12
SCHEMBL7307795 0.79 PDE3B (0.57) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7320269 0.79 PDE3B (0.55) PDE3BPDE3AP2RY12
SCHEMBL7311266 0.77 PDE3B (0.80) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7308217 0.77 PDE3B (0.68) PDE3BPDE3AP2RY12PDE4APDE4B

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