SCHEMBL7314040

SCHEMBL7314040

CCNC(=O)NC1=Nc2cc(OCCCC(=O)NN3CCCCC3)ccc2CN1CC(=O)NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
AURKA O14965 4/20 0.38
AURKB Q96GD4 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM1A O60341 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
AVPR1B P47901 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
SCHEMBL7316526 0.92 PDE4A (0.46) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7318905 0.91 PDE4A (0.44) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7310210 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7315023 0.90 PDE4A (0.42) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7316041 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7306174 0.86 PDE4A (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7316981 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7314035 0.84 LMNA (0.35) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7321093 0.82 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7311023 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR1

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