SCHEMBL7315736

SCHEMBL7315736

CCN(C)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)NN1CCOCC1)CN2NC(=O)N(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7316379 0.78 CNR2 (0.36) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7314853 0.78 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL7310677 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308174 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319563 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313857 0.75 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7305079 0.73 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313102 0.72 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312707 0.72 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317688 0.71 PDE4A (0.47) 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