SCHEMBL7318475

SCHEMBL7318475

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
PDE4A P27815 19/20 0.49
PDE4B Q07343 19/20 0.49
PDE4C Q08493 19/20 0.49
PDE4D Q08499 19/20 0.49

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
SCHEMBL7305463 0.89 PDE4A (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320082 0.88 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7309882 0.88 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7314492 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311578 0.84 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10668129 0.84 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7308149 0.83 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10672245 0.83 PDE4A (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320897 0.82 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7310656 0.81 PDE4A (0.59) PDE3BPDE3APDE4APDE4BPDE4C

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