SCHEMBL880726

SCHEMBL880726

CCCCC(CC)n1nc(C)c2cc(C(=O)Nc3ccc(N4CCC(O)CC4)cc3)sc21

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.62

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
SCHEMBL13076083 0.89 PDE7A (0.65) PDE7A
SCHEMBL880739 0.86 PDE7A (0.67) PDE7A
SCHEMBL853735 0.78 PDE7A (0.70) PDE7A
SCHEMBL853734 0.77 PDE7A (1.00) PDE7A
SCHEMBL880730 0.77 KDM4E (0.56) PDE7A
SCHEMBL854231 0.76 PDE7A (0.85) PDE7A
SCHEMBL853125 0.75 PDE7A (0.71) PDE7A
SCHEMBL880738 0.74 PDE7A (0.71) PDE7A
SCHEMBL854087 0.74 PDE7A (0.93) PDE7A
SCHEMBL853124 0.74 PDE7A (1.00) 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-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed