SCHEMBL7314666

SCHEMBL7314666

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1CN(CC(=O)Oc1ccccc1Cl)C(NC(=O)NCC1CCCCC1)=N2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
PDE4A P27815 8/20 0.37
PDE4B Q07343 8/20 0.37
PDE4C Q08493 8/20 0.37
PDE4D Q08499 8/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 2/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
EPHX2 P34913 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7314675 0.89 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318128 0.83 PDE3B (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7308357 0.79 PDE3B (0.36) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7311013 0.78 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313872 0.77 PDE3B (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320482 0.77 NPC1 (0.36) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7319736 0.76 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7312876 0.75 PDE3B (0.36) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7314019 0.75 PDE3B (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313053 0.75 PDE3B (0.38) 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 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