SCHEMBL14775835

SCHEMBL14775835

Cc1nn(C2CCCCC2)c2sc(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc12

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.74

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
SCHEMBL14775838 1.00 PDE7A (0.74) PDE7A
SCHEMBL10267250 0.92 PDE7A (0.68) PDE7A
SCHEMBL853949 0.91 PDE7A (0.62) PDE7A
SCHEMBL861360 0.91 PDE7A (0.62) PDE7A
SCHEMBL852907 0.90 PDE7A (0.79) PDE7A
SCHEMBL852909 0.90 PDE7A (0.79) PDE7A
SCHEMBL853941 0.85 PDE7A (1.00) PDE7A
SCHEMBL14775732 0.85 PDE7A (1.00) PDE7A
SCHEMBL853441 0.85 PDE7A (1.00) PDE7A
SCHEMBL852702 0.84 PDE7A (0.72) 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