SCHEMBL16900046

SCHEMBL16900046

COc1cncc(-c2ccccc2Cc2nc3c(ccn3C3CCC(F)(F)CC3)c(=O)[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.62

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
SCHEMBL6338980 0.88 PDE9A (0.80) PDE9A
SCHEMBL16900084 0.79 PDE9A (0.61) PDE9A
SCHEMBL6339054 0.79 PDE9A (0.67) PDE9A
SCHEMBL6341691 0.79 PDE9A (0.67) PDE9A
SCHEMBL16900037 0.78 PDE9A (0.41) PDE9A
SCHEMBL7879274 0.77 PDE9A (1.00) PDE9A
SCHEMBL16900036 0.76 PDE9A (0.41) PDE9A
SCHEMBL6342143 0.74 PDE9A (0.65) PDE9A
SCHEMBL16900067 0.74 PDE9A (0.66) PDE9A
SCHEMBL16900065 0.74 PDE9A (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
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