SCHEMBL7320575

SCHEMBL7320575

CC(C)OC(=O)NC1=Nc2cccc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c2CN1CC(=O)OOc1ccccc1N(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4A P27815 5/20 0.32
PDE4B Q07343 5/20 0.32
PDE4C Q08493 5/20 0.32
PDE4D Q08499 5/20 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
SCHEMBL7308357 0.87 PDE3B (0.36) PDE3BPDE3ANPC1MAPK1PDE4A
SCHEMBL7311174 0.85 PDE4A (0.40) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7312876 0.84 PDE3B (0.36) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7317951 0.83 PDE3B (0.35) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7319736 0.80 PDE3B (0.44) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7308383 0.78 PDE3B (0.41) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7318644 0.77 PDE3B (0.35) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7313246 0.77 PDE4A (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7316957 0.77 PDE3B (0.35) PDE3BPDE3ANPC1LMNAALOX15
SCHEMBL7318642 0.76 MAPT (0.34) PDE3BPDE3ANPC1LMNAALOX15

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