SCHEMBL10667755

SCHEMBL10667755

CC(C)NC(=O)CN1Cc2cc(OCCCC(=O)N(C(C)O)C3CCCCC3)ccc2N=C1N

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.66
PDE4B Q07343 20/20 0.66
PDE4C Q08493 20/20 0.66
PDE4D Q08499 20/20 0.66

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
SCHEMBL10672041 0.89 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL10667760 0.88 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL10647415 0.85 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL10664960 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL10670469 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL10671351 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316893 0.81 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL7312657 0.81 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL10664965 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL10650859 0.81 PDE4A (0.54) 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 1 patent. 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