SCHEMBL16900083

SCHEMBL16900083

CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4-n4cccn4)nc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.76
▸ PDE1C Q14123 1/20 0.52

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
SCHEMBL6342458 0.93 PDE9A (0.78) PDE9APDE1C
SCHEMBL16900078 0.90 PDE9A (0.65) PDE9APDE1C
SCHEMBL16900092 0.89 PDE9A (0.59) PDE9APDE1C
SCHEMBL7883693 0.86 PDE9A (1.00) PDE9APDE1C
SCHEMBL6342269 0.84 PDE9A (0.66) PDE9APDE1C
SCHEMBL16900040 0.83 PDE9A (0.59) PDE9APDE1C
SCHEMBL6369403 0.83 PDE9A (0.79) PDE9APDE1C
SCHEMBL6369349 0.82 PDE9A (0.77) PDE9APDE1C
SCHEMBL6342453 0.82 PDE9A (0.61) PDE9APDE1C
SCHEMBL16900091 0.82 PDE9A (0.76) 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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