SCHEMBL16900075

SCHEMBL16900075

COc1cccnc1Cc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.54
▸ PDE1C Q14123 2/20 0.50

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
SCHEMBL6342712 0.94 PDE9A (0.56) PDE9APDE1C
SCHEMBL12401090 0.89 PDE9A (0.62) PDE9APDE1C
SCHEMBL7886896 0.87 PDE9A (0.71) PDE9APDE1C
SCHEMBL16900040 0.87 PDE9A (0.59) PDE9APDE1C
SCHEMBL16900080 0.84 PDE9A (0.61) PDE9APDE1C
SCHEMBL16900092 0.84 PDE9A (0.59) PDE9APDE1C
SCHEMBL16900039 0.84 PDE9A (0.49) PDE9APDE1C
SCHEMBL16900061 0.84 PDE9A (0.57) PDE9APDE1C
SCHEMBL16900073 0.83 PDE9A (0.55) PDE9A
SCHEMBL6369795 0.82 PDE9A (0.60) 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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