SCHEMBL7315234

SCHEMBL7315234

CCCN(CC(C)C)C(=O)CN1Cc2ccc(OCCCC(=O)NC3CCc4ccccc4N3)cc2N=C1NC(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.41
PDE4B Q07343 16/20 0.41
PDE4C Q08493 16/20 0.41
PDE4D Q08499 16/20 0.41
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36

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
SCHEMBL7318080 0.94 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310147 0.93 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306857 0.92 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309362 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310217 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307648 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310864 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307185 0.79 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318083 0.79 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310774 0.75 PDE4A (0.46) 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
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed