SCHEMBL7890353

SCHEMBL7890353

CN(C)C(=O)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4O)nc32)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.53
▸ PDE1C Q14123 2/20 0.53

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
SCHEMBL7886186 0.89 PDE9A (0.68) PDE9APDE1C
SCHEMBL7989159 0.88 PDE9A (0.49) PDE9APDE1C
SCHEMBL7879215 0.84 PDE9A (0.65) PDE9APDE1C
SCHEMBL7886938 0.83 PDE9A (0.67) PDE9APDE1C
SCHEMBL7887077 0.82 PDE9A (0.55) PDE9APDE1C
SCHEMBL7888417 0.79 PDE9A (0.72) PDE9APDE1C
SCHEMBL12401258 0.79 PDE9A (0.54) PDE9APDE1C
SCHEMBL7887107 0.79 PDE9A (0.51) PDE9APDE1C
SCHEMBL7881519 0.79 PDE9A (0.55) PDE9APDE1C
SCHEMBL7876119 0.78 PDE9A (0.51) 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 1 patent. 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
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