SCHEMBL16900041

SCHEMBL16900041

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.59
▸ PDE1C Q14123 2/20 0.48
▸ PDE1B Q01064 1/20 0.45

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
SCHEMBL6341459 0.94 PDE9A (0.61) PDE9A
SCHEMBL16900033 0.91 PDE9A (0.62) PDE9APDE1C
SCHEMBL16900052 0.87 PDE9A (0.58) PDE9APDE1C
SCHEMBL16900055 0.87 PDE9A (0.63) PDE9APDE1C
SCHEMBL6338426 0.84 PDE9A (0.65) PDE9A
SCHEMBL16900057 0.83 PDE9A (0.59) PDE9APDE1C
SCHEMBL16900030 0.83 PDE9A (0.55) PDE9APDE1C
SCHEMBL16900050 0.83 PDE9A (0.65) PDE9A
SCHEMBL16900027 0.82 PDE9A (0.76) PDE9APDE1CPDE1B
SCHEMBL6340787 0.82 PDE9A (0.67) 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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