SCHEMBL7934026

SCHEMBL7934026

Nc1ccc(-c2ccc(F)cc2Cc2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)cn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.61
▸ PDE1C Q14123 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
SCHEMBL7934035 0.94 PDE9A (0.56) PDE9A
SCHEMBL6339305 0.92 PDE9A (0.67) PDE9APDE1C
SCHEMBL6341681 0.90 PDE9A (0.59) PDE9APDE1C
SCHEMBL6341712 0.88 PDE9A (0.61) PDE9A
SCHEMBL6339066 0.88 PDE9A (0.66) PDE9APDE1C
SCHEMBL6341803 0.88 PDE9A (0.65) PDE9APDE1C
SCHEMBL6340247 0.88 PDE9A (0.64) PDE9APDE1C
SCHEMBL6340448 0.87 PDE9A (0.68) PDE9A
SCHEMBL6342060 0.87 PDE9A (0.63) PDE9APDE1C
SCHEMBL6341876 0.87 PDE9A (0.64) 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
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 — — WO disclosed
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