SCHEMBL7314853

SCHEMBL7314853

CCCCCCN(C)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OC(C)(C)C)CN2NC(=O)N(C)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
THRA P10827 7/20 0.36
THRB P10828 7/20 0.36
MOGAT2 Q3SYC2 9/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL7319563 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312685 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310677 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7315736 0.78 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL7316379 0.78 CNR2 (0.36) PDE4APDE4BPDE4CPDE4DMOGAT2
SCHEMBL7309558 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308791 0.76 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313857 0.75 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312210 0.73 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307535 0.73 PDE4A (0.43) 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