SCHEMBL7310656

SCHEMBL7310656

CC(C)COC(=O)CN1Cc2c(cccc2OCCCC(=O)N(C)C2CCCCC2)N=C1N

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.59
PDE4B Q07343 19/20 0.59
PDE4C Q08493 19/20 0.59
PDE4D Q08499 19/20 0.59
PDE3B Q13370 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL10651364 0.89 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320897 0.89 PDE3B (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10671368 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319882 0.88 PDE3B (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308913 0.86 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10650650 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647172 0.84 PDE3B (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7305463 0.83 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316720 0.83 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318809 0.83 PDE4A (0.85) 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 3 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
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