SCHEMBL7307529

SCHEMBL7307529

CCCOC(=O)C(c1ccccc1)N1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C1N

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.66
PDE4B Q07343 19/20 0.66
PDE4C Q08493 19/20 0.66
PDE4D Q08499 19/20 0.66
BACE1 P56817 1/20 0.63

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
SCHEMBL10646995 0.92 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL7309443 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10646574 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10653875 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10647105 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10649452 0.82 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL10646753 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL10649134 0.81 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651610 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307533 0.80 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761416-A ENZYME INHIBITORS, INOTROPIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-02 US disclosed
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed