SCHEMBL7312466

SCHEMBL7312466

CCCCCCN(CCCCCC)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)Nc1ccccc1)C(NC(=O)c1ccc(N(C)C)cc1)=N2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.54
PDE4B Q07343 12/20 0.54
PDE4C Q08493 12/20 0.54
PDE4D Q08499 12/20 0.54
PDE3B Q13370 5/20 0.42
PDE3A Q14432 5/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK2 O75116 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7320427 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317858 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317390 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319831 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307528 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309643 0.77 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319497 0.77 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311928 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308708 0.76 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314906 0.75 PDE4A (0.55) 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