SCHEMBL10654083

SCHEMBL10654083

CN(C)c1ccccc1OC(=O)CN1Cc2c(cccc2OCCCCC(=O)N(CCO)C2CCCCC2)N=C1N

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.45
PDE4B Q07343 19/20 0.45
PDE4C Q08493 19/20 0.45
PDE4D Q08499 19/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL10654088 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10669170 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10652204 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10654080 0.88 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649193 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10652201 0.84 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10652938 0.83 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL10652617 0.82 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10672124 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10651619 0.81 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B

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