SCHEMBL16900054

SCHEMBL16900054

CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccc(F)cc4-c4ccc(C#N)nc4)nc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.65

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
SCHEMBL16900044 0.94 PDE9A (0.65) PDE9A
SCHEMBL6339138 0.94 PDE9A (0.66) PDE9A
SCHEMBL6339066 0.88 PDE9A (0.66) PDE9A
SCHEMBL16900062 0.87 PDE9A (0.54) PDE9A
SCHEMBL16900069 0.87 PDE9A (0.63) PDE9A
SCHEMBL16900086 0.87 PDE9A (0.53) PDE9A
SCHEMBL16900089 0.86 PDE9A (0.60) PDE9A
SCHEMBL16900071 0.86 PDE9A (0.63) PDE9A
SCHEMBL16900093 0.85 PDE9A (0.62) PDE9A
SCHEMBL6341627 0.85 PDE9A (0.80) 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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