SCHEMBL7312688

SCHEMBL7312688

O=C1NC2=Nc3cc(Cl)c(OCCCCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3CN2C1CO

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.51
PDE3A Q14432 19/20 0.51
KDM4E B2RXH2 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
SCHEMBL7317020 0.89 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7306886 0.86 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7316240 0.85 PDE3B (0.71) PDE3BPDE3A
SCHEMBL7318331 0.84 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7316457 0.83 PDE3B (0.61) PDE3BPDE3A
SCHEMBL7318826 0.79 PDE3B (0.58) PDE3BPDE3A
SCHEMBL7316740 0.79 PDE3B (0.59) PDE3BPDE3A
SCHEMBL7313307 0.79 PDE3B (0.54) PDE3BPDE3A
SCHEMBL7316912 0.78 PDE3B (0.63) PDE3BPDE3A
SCHEMBL7312169 0.77 PDE3B (0.47) PDE3BPDE3AKDM4E

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