SCHEMBL880738

SCHEMBL880738

CCCC(CCC)n1nc(C)c2cc(C(=O)Nc3ccc(C(=O)N4CCC(O)CC4)c(OC)c3)sc21

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
SCHEMBL880675 0.90 PDE7A (0.57) PDE7A
SCHEMBL853977 0.83 PDE7A (1.00) PDE7A
SCHEMBL853978 0.82 PDE7A (0.74) PDE7A
SCHEMBL854778 0.75 PDE7A (1.00) PDE7A
SCHEMBL10266579 0.75 PDE7A (0.55) PDE7A
Hydrochloric Acid SCHEMBL854201 0.75 PDE7A (0.98) PDE7A
SCHEMBL854546 0.75 PDE7A (0.84) PDE7A
SCHEMBL880726 0.74 PDE7A (0.62) PDE7A
SCHEMBL854779 0.73 PDE7A (0.71) PDE7A
SCHEMBL854547 0.72 SMN1; SMN2 (0.66) 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