SCHEMBL14775801

SCHEMBL14775801

Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C4CCN(C(=O)O)C(C(C)(C)C)C4)cc3)cc12

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.71

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
SCHEMBL852689 0.88 PDE7A (0.85) PDE7A
SCHEMBL14775579 0.85 PDE7A (0.72) PDE7A
SCHEMBL14775770 0.84 PDE7A (0.70) PDE7A
SCHEMBL853872 0.84 PDE7A (1.00) PDE7A
SCHEMBL14775766 0.83 PDE7A (0.73) PDE7A
SCHEMBL880731 0.82 PDE7A (0.77) PDE7A
SCHEMBL853893 0.80 PDE7A (1.00) PDE7A
SCHEMBL880566 0.80 PDE7A (0.86) PDE7A
SCHEMBL853799 0.80 PDE7A (0.83) PDE7A
Hydrochloric Acid SCHEMBL853308 0.80 PDE7A (0.98) PDE7A

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
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP claimed