SCHEMBL7890345

SCHEMBL7890345

CC[C@H](C)Cc1nc2c(cnn2C2CCCOC2)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.79
▸ PDE1C Q14123 2/20 0.49
▸ PDE1B Q01064 2/20 0.49

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
SCHEMBL7989552 1.00 PDE9A (0.79) PDE9APDE1CPDE1B
SCHEMBL7886923 0.94 PDE9A (0.76) PDE9APDE1CPDE1B
SCHEMBL7884917 0.91 PDE9A (0.65) PDE9APDE1CPDE1B
SCHEMBL7876695 0.91 PDE9A (0.64) PDE9APDE1CPDE1B
SCHEMBL2528957 0.89 PDE9A (1.00) PDE9APDE1CPDE1B
SCHEMBL7888328 0.88 PDE9A (0.82) PDE9APDE1C
SCHEMBL7882627 0.88 PDE9A (0.82) PDE9APDE1C
SCHEMBL12401082 0.88 PDE9A (0.98) PDE9APDE1CPDE1B
SCHEMBL7881515 0.85 PDE9A (0.61) PDE9APDE1CPDE1B
SCHEMBL7880542 0.85 PDE9A (0.61) PDE9APDE1CPDE1B

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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