SCHEMBL7879280

SCHEMBL7879280

Nc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.82

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
SCHEMBL7884956 0.91 PDE9A (0.81) PDE9A
SCHEMBL7876909 0.90 PDE9A (1.00) PDE9A
SCHEMBL7886937 0.89 PDE9A (1.00) PDE9A
SCHEMBL7882548 0.89 PDE9A (1.00) PDE9A
SCHEMBL7876055 0.88 PDE9A (0.84) PDE9A
SCHEMBL7882454 0.87 PDE9A (1.00) PDE9A
SCHEMBL7886935 0.87 PDE9A (1.00) PDE9A
SCHEMBL7882542 0.87 PDE9A (1.00) PDE9A
SCHEMBL7877685 0.87 PDE9A (1.00) PDE9A
SCHEMBL12399465 0.86 PDE9A (0.82) 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 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