SCHEMBL16900047

SCHEMBL16900047

CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-c4ccc(C(N)=O)nc4)nc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.59
▸ PDE1C Q14123 1/20 0.42

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
SCHEMBL16900086 0.94 PDE9A (0.53) PDE9A
SCHEMBL6341681 0.94 PDE9A (0.59) PDE9APDE1C
SCHEMBL16900058 0.90 PDE9A (0.65) PDE9APDE1C
SCHEMBL6340015 0.88 PDE9A (0.54) PDE9A
SCHEMBL16900068 0.87 PDE9A (0.60) PDE9A
SCHEMBL16900044 0.87 PDE9A (0.65) PDE9A
SCHEMBL16900066 0.86 PDE9A (0.64) PDE9APDE1C
SCHEMBL16900060 0.86 PDE9A (0.64) PDE9APDE1C
SCHEMBL16900077 0.86 PDE9A (0.66) PDE9A
SCHEMBL16900070 0.86 PDE9A (0.63) 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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