SCHEMBL16900057

SCHEMBL16900057

CCC(Cc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.59
▸ PDE1C Q14123 2/20 0.46

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
SCHEMBL6339448 0.93 PDE9A (0.63) PDE9A
SCHEMBL16900052 0.89 PDE9A (0.58) PDE9APDE1C
SCHEMBL16900055 0.88 PDE9A (0.63) PDE9APDE1C
SCHEMBL16900033 0.88 PDE9A (0.62) PDE9APDE1C
SCHEMBL7878026 0.87 PDE9A (0.61) PDE9APDE1C
SCHEMBL7878004 0.84 PDE9A (0.57) PDE9APDE1C
SCHEMBL16900041 0.83 PDE9A (0.59) PDE9APDE1C
SCHEMBL16900030 0.83 PDE9A (0.55) PDE9APDE1C
SCHEMBL7886160 0.83 PDE9A (0.56) PDE9APDE1C
SCHEMBL7885838 0.83 PDE9A (0.56) PDE9APDE1C

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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