Sugi Predict

Sugi Predict / Compounds / SCHEMBL7310780

SCHEMBL7310780

SCHEMBL7310780

CC(C)COC(=O)CN1Cc2ccc(OCCC(C(N)=O)N3CCCc4ccccc43)cc2N=C1N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 19/20 0.39
▸ PDE4B Q07343 19/20 0.39
▸ PDE4C Q08493 19/20 0.39
▸ PDE4D Q08499 19/20 0.39
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 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
SCHEMBL7310878 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307657 0.88 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307197 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311435 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320735 0.78 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310777 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317311 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306766 0.75 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310774 0.71 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311535 0.71 MAPT (0.37) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761416-A ENZYME INHIBITORS, INOTROPIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-02 — — US disclosed
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 — — US disclosed