SCHEMBL17613807

SCHEMBL17613807

C=C(F)c1cccc(Cc2nc3c(cnn3C3CCCN(C(C)=O)C3)c(=O)[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.54
▸ PDE1C Q14123 4/20 0.54
▸ PDE1B Q01064 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL17613796 0.90 PDE9A (0.57) PDE9APDE1CACHE
SCHEMBL7888417 0.87 PDE9A (0.72) PDE9APDE1CPDE1BACHE
SCHEMBL7887928 0.87 PDE9A (0.55) PDE9APDE1CACHE
SCHEMBL12401254 0.83 PDE9A (0.54) PDE9APDE1CACHE
SCHEMBL12401183 0.83 PDE9A (0.71) PDE9APDE1CACHE
SCHEMBL7885831 0.82 PDE9A (0.68) PDE9APDE1CACHE
SCHEMBL7880552 0.81 PDE9A (0.71) PDE9APDE1CACHE
SCHEMBL7887077 0.81 PDE9A (0.55) PDE9APDE1C
SCHEMBL7884510 0.80 PDE9A (0.52) PDE9APDE1CACHE
SCHEMBL7882912 0.79 PDE9A (0.65) 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
EP-2300478-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 — — EP disclosed
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