SCHEMBL21390968

SCHEMBL21390968

CC(C)(C)n1c(CCCCC(=O)CC(C)(O)C(F)(F)F)nc2ccc(C(F)(F)F)nc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.33
PDE10A Q9Y233 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL21390915 0.86 CES1 (0.33) PDE2APDE10AIRAK4
SCHEMBL21390906 0.86 PDE2A (0.31) PDE2APDE10A
SCHEMBL21390963 0.86 PDE2A (0.31) PDE2APDE10AIRAK4
SCHEMBL21390832 0.86 PDE2A (0.33) PDE2APDE10AIRAK4
SCHEMBL21390780 0.83 IRAK4 (0.31) PDE2APDE10AIRAK4
SCHEMBL21390919 0.82 PDE2A (0.30) PDE2APDE10A
SCHEMBL21390904 0.81 PDE2A (0.32) PDE2APDE10A
SCHEMBL21390877 0.78 CSNK1D (0.36) PDE2APDE10A
SCHEMBL21390751 0.77 CCR9 (0.32)
SCHEMBL21375762 0.74 PDE2A (0.35) PDE2APDE10AIRAK4

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed