SCHEMBL7320732

SCHEMBL7320732

CNN(C(=O)CN1Cc2ccc(OCCCC(=O)NN3CCc4ccccc43)cc2N=C1N)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.42
PDE4B Q07343 20/20 0.42
PDE4C Q08493 20/20 0.42
PDE4D Q08499 20/20 0.42

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
SCHEMBL7313455 0.89 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317727 0.86 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7351296 0.86 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311440 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311541 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311518 0.70 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319183 0.70 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317857 0.69 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320121 0.69 PDE3B (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320735 0.68 PDE4A (0.43) 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