SCHEMBL10650044

SCHEMBL10650044

CN(CCCCC1CCCC1)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)NCC1CCC(Br)C1)C(N)=N2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.57
PDE4B Q07343 20/20 0.57
PDE4C Q08493 20/20 0.57
PDE4D Q08499 20/20 0.57

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
SCHEMBL10649631 0.89 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL10672690 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7313748 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL10671542 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL10667830 0.77 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651544 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL10671450 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL10672688 0.76 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL10665945 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307287 0.75 PDE4A (0.58) 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
EP-0254327-A2 N-N-disubstituted-omega-(2-amino-3-(carbonylmethyl)-3,4-dihydroquinazolinyl) oxyalkylamides and related compounds SYNTEX (U.S.A.) INC. (US) 1988-01-27 EP disclosed