SCHEMBL10649490

SCHEMBL10649490

CC(C)(C)OC(=O)CN1Cc2cccc(OCCCC(=O)N(CCCCO)C3CCCCC3)c2N=C1N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.56
PDE4B Q07343 16/20 0.56
PDE4C Q08493 16/20 0.56
PDE4D Q08499 16/20 0.56
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46

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
SCHEMBL10649953 0.89 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10648568 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314507 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL10672124 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649193 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10648954 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649497 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318037 0.82 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651441 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL10650053 0.78 PDE4A (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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