SCHEMBL16900042

SCHEMBL16900042

COc1cc(-c2ccccc2Cc2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.80

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
SCHEMBL6339774 0.95 PDE9A (0.81) PDE9A
SCHEMBL16900056 0.91 PDE9A (0.66) PDE9A
SCHEMBL16900045 0.91 PDE9A (0.66) PDE9A
SCHEMBL16900090 0.90 PDE9A (0.79) PDE9A
SCHEMBL16900043 0.89 PDE9A (0.65) PDE9A
SCHEMBL7882539 0.89 PDE9A (1.00) PDE9A
SCHEMBL6339153 0.86 PDE9A (0.67) PDE9A
SCHEMBL6342777 0.86 PDE9A (0.67) PDE9A
SCHEMBL6341633 0.84 PDE9A (0.68) PDE9A
SCHEMBL16900076 0.84 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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