SCHEMBL7307685

SCHEMBL7307685

CC(C)COC(=O)CN1Cc2cccc(OCCCC(=O)N(C)c3ccccc3)c2N=C1NC(=O)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.37
PDE4A P27815 8/20 0.37
PDE4B Q07343 8/20 0.37
PDE4C Q08493 8/20 0.37
PDE4D Q08499 8/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
KCNH2 Q12809 1/20 0.31
GHSR Q92847 1/20 0.31
P2RY1 P47900 1/20 0.31
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31

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
SCHEMBL7311966 0.89 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307830 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314037 0.88 PDE4A (0.38) PPIAPDE4APDE4BPDE4CPDE4D
SCHEMBL7320078 0.88 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316546 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309755 0.79 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316529 0.79 PDE3B (0.35) PPIAPDE4APDE4BPDE4CPDE4D
SCHEMBL7313872 0.79 PDE3B (0.37) PPIAPDE4APDE4BPDE4CPDE4D
SCHEMBL7306753 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311053 0.78 PDE3B (0.36) 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