SCHEMBL7962095

SCHEMBL7962095

CCCc1nc2c([nH]1)c(=O)ncn2Cc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.61
PDE4B Q07343 20/20 0.61
PDE4C Q08493 20/20 0.61
PDE4D Q08499 20/20 0.61

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
SCHEMBL6672384 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL6155745 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672389 0.84 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL6675074 0.82 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672649 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672888 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740525 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674257 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL29354661 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL29721014 0.75 PDE4A (0.98) 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-6211367-B1 REACTING AN 2-IMIDAZOLINE COMPOUND WITH A BENZALDEHYDE; REDUCTION EURO-CELTIQUE, S.A. (LU) 2001-04-03 US disclosed