SCHEMBL7307830

SCHEMBL7307830

CC(C)COC(=O)CN1Cc2cccc(OCCCC(=O)N(C)c3ccccc3)c2N=C1NC(=O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.38
PDE4B Q07343 14/20 0.38
PDE4C Q08493 14/20 0.38
PDE4D Q08499 14/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPK1 P28482 1/20 0.31
NTSR1 P30989 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOD2 Q9HC29 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL7307685 0.89 PPIA (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311966 0.89 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319316 0.89 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320078 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316546 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318132 0.79 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7303658 0.79 PDE3B (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314402 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310955 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309755 0.78 PDE3B (0.36) 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 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