SCHEMBL7305500

SCHEMBL7305500

CC(=O)NC1=Nc2cc(OCCCC(=O)NN3CCCC3)ccc2CN1CC(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.47
PDE4B Q07343 12/20 0.47
PDE4C Q08493 12/20 0.47
PDE4D Q08499 12/20 0.47
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE3B Q13370 5/20 0.37
PDE3A Q14432 5/20 0.37
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7318730 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7321161 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7316041 0.91 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7310769 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7319543 0.87 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316526 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7316947 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311023 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7305497 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL7320678 0.82 PDE4A (0.48) 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