SCHEMBL7316041

SCHEMBL7316041

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.40
PDE4B Q07343 11/20 0.40
PDE4C Q08493 11/20 0.40
PDE4D Q08499 11/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PDE3B Q13370 5/20 0.35
PDE3A Q14432 5/20 0.35
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7316981 0.91 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7305500 0.91 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7321161 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7318730 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7314040 0.87 LMNA (0.41) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7319543 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321093 0.85 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310210 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7316039 0.84 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320570 0.83 PDE4A (0.41) 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