SCHEMBL19006095

SCHEMBL19006095

CCOc1cccc(CN2CC(C)C(c3nn4c(C5CCOCC5)ncc4c(=O)[nH]3)C2)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.70

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
SCHEMBL883037 0.93 PDE9A (0.75) PDE9A
SCHEMBL19006093 0.88 PDE9A (0.73) PDE9A
SCHEMBL9933445 0.86 PDE9A (0.76) PDE9A
SCHEMBL15279515 0.85 PDE9A (0.75) PDE9A
SCHEMBL882671 0.85 PDE9A (0.70) PDE9A
SCHEMBL15279564 0.84 PDE9A (0.76) PDE9A
SCHEMBL15279452 0.84 PDE9A (0.71) PDE9A
SCHEMBL877241 0.83 PDE9A (0.85) PDE9A
SCHEMBL15142645 0.83 PDE9A (0.85) PDE9A
SCHEMBL882603 0.83 PDE9A (0.85) PDE9A

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-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed