SCHEMBL16900050

SCHEMBL16900050

CC1(F)CCC(n2ncc3c(=O)[nH]c(CC4CCC(F)(F)CC4)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
SCHEMBL6339510 0.95 PDE9A (0.71) PDE9A
SCHEMBL16900027 0.93 PDE9A (0.76) PDE9A
SCHEMBL6369064 0.93 PDE9A (0.71) PDE9A
SCHEMBL6341781 0.91 PDE9A (0.76) PDE9A
SCHEMBL6340925 0.91 PDE9A (0.79) PDE9A
SCHEMBL7886146 0.88 PDE9A (0.65) PDE9A
SCHEMBL6341503 0.85 PDE9A (0.57) PDE9A
SCHEMBL16900033 0.85 PDE9A (0.62) PDE9A
SCHEMBL16900030 0.84 PDE9A (0.55) PDE9A
SCHEMBL6344117 0.84 PDE9A (0.60) 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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