SCHEMBL7143349

SCHEMBL7143349

CC(=O)Nc1ccc(N(C(C)=O)c2ccc(-c3nn(C)c(=N[C@@H]4CCC[C@@H](O)C4)s3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.69
PDE4D Q08499 18/20 0.69
PDE7B Q9NP56 2/20 0.69

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
SCHEMBL5526434 0.93 PDE7A (0.79) PDE7APDE4DPDE7B
SCHEMBL4252297 0.93 PDE7A (0.79) PDE7APDE4DPDE7B
SCHEMBL4250457 0.93 PDE7A (0.79) PDE7APDE4DPDE7B
SCHEMBL4250459 0.93 PDE7A (0.79) PDE7APDE4DPDE7B
SCHEMBL7146139 0.89 PDE7A (0.71) PDE7APDE4DPDE7B
SCHEMBL4255859 0.82 PDE7A (1.00) PDE7APDE4DPDE7B
SCHEMBL5527240 0.82 PDE7A (1.00) PDE7APDE4DPDE7B
SCHEMBL4255856 0.82 PDE7A (1.00) PDE7APDE4DPDE7B
SCHEMBL4256540 0.81 PDE7A (0.82) PDE7APDE4DPDE7B
SCHEMBL4256545 0.81 PDE7A (0.82) PDE7APDE4DPDE7B

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
EP-1326853-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2003-07-16 EP disclosed
WO-2002028847-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-04-11 WO disclosed