SCHEMBL18635986

SCHEMBL18635986

O=c1[nH]c(CCc2ccccn2)nc2c1cnn2C1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.84
▸ PDE1C Q14123 2/20 0.67

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
Osoresnontrine SCHEMBL7885817 0.91 PDE9A (1.00) PDE9APDE1C
Osoresnontrine SCHEMBL29430542 0.91 PDE9A (1.00) PDE9APDE1C
SCHEMBL7882412 0.85 PDE9A (0.89) PDE9APDE1C
SCHEMBL12465430 0.83 PDE9A (0.78) PDE9APDE1C
SCHEMBL12401111 0.82 PDE9A (0.83) PDE9APDE1C
SCHEMBL6343941 0.81 PDE9A (0.82) PDE9APDE1C
SCHEMBL7885778 0.81 PDE9A (0.68) PDE9APDE1C
SCHEMBL12401050 0.81 PDE9A (0.81) PDE9APDE1C
SCHEMBL7983382 0.81 PDE9A (0.75) PDE9APDE1C
SCHEMBL7885787 0.81 PDE9A (1.00) 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
EP-2603511-B1 6-CYCLOALKYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-03-15 — — EP disclosed
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