SCHEMBL14775751

SCHEMBL14775751

Cc1nn(C2CCCCC2)c2sc(C(=O)NN3CCCCC3)cc12

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.67

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
SCHEMBL852987 1.00 PDE7A (0.67) PDE7A
SCHEMBL15513442 0.92 PDE7A (0.69) PDE7A
SCHEMBL853429 0.86 PDE7A (0.77) PDE7A
SCHEMBL854824 0.84 PDE7A (0.92) PDE7A
SCHEMBL854150 0.84 PDE7A (0.88) PDE7A
SCHEMBL854148 0.84 PDE7A (0.88) PDE7A
SCHEMBL861860 0.83 PDE7A (0.61) PDE7A
Bicarbonate SCHEMBL14775802 0.82 PDE7A (0.84) PDE7A
Bicarbonate SCHEMBL14775793 0.82 PDE7A (0.84) PDE7A
SCHEMBL853239 0.82 PDE7A (0.69) 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