SCHEMBL7879202

SCHEMBL7879202

Nc1cccc(Cc2nc3c(cnn3C3CCCOC3)c(=O)[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.62
▸ PDE1C Q14123 2/20 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
SCHEMBL7885803 0.95 PDE9A (0.69) PDE9APDE1C
SCHEMBL7885757 0.87 PDE9A (0.59) PDE9APDE1C
SCHEMBL12465475 0.87 PDE9A (0.59) PDE9APDE1C
SCHEMBL15505250 0.85 PDE9A (0.64) PDE9APDE1C
SCHEMBL7888334 0.84 PDE9A (0.60) PDE9APDE1C
SCHEMBL7886934 0.83 PDE9A (0.64) PDE9APDE1C
SCHEMBL7886941 0.83 PDE9A (0.56) PDE9APDE1C
SCHEMBL12465416 0.81 PDE9A (0.66) PDE9APDE1C
SCHEMBL7882623 0.81 PDE9A (0.66) PDE9APDE1C
SCHEMBL12399274 0.80 PDE9A (0.57) PDE9APDE1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 — — WO disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 — — WO disclosed
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