SCHEMBL7306761

SCHEMBL7306761

C=c1c(=O)[nH]c2n1Cc1cc(OCC(=O)N(CCCCCC)C3CCCCC3)c(Cl)cc1N=2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.51
PDE3A Q14432 17/20 0.51
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PYGL P06737 1/20 0.33

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
SCHEMBL7311914 0.81 PDE3B (0.51) PDE3BPDE3ALMNAKDM4E
SCHEMBL7320379 0.80 PDE3B (0.60) PDE3BPDE3A
SCHEMBL7311494 0.80 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7321627 0.80 PDE3B (0.73) PDE3BPDE3A
SCHEMBL7305821 0.79 PDE3B (0.53) PDE3BPDE3A
SCHEMBL7314397 0.77 PDE3B (0.79) PDE3BPDE3A
SCHEMBL7314298 0.76 PDE3B (0.68) PDE3BPDE3A
SCHEMBL7315793 0.75 PDE3B (0.58) PDE3BPDE3A
SCHEMBL7310791 0.74 PDE3B (0.49) PDE3BPDE3ANPSR1PYGL
SCHEMBL7311843 0.73 PDE3B (0.46) PDE3BPDE3APYGL

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