SCHEMBL8282772

SCHEMBL8282772

CC(O[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.42
▸ PARP1 P09874 2/20 0.36
▸ PFKFB3 Q16875 1/20 0.34
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ APP P05067 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
SCHEMBL8220973 1.00 APLNR (0.42) APLNRPARP1PFKFB3RXRAGRIN1
SCHEMBL8281100 0.82 APLNR (0.40) APLNRAPP
SCHEMBL8280147 0.82 APLNR (0.40) APLNRAPP
SCHEMBL29825036 0.80 CHRNA1 (0.35) APLNR
SCHEMBL8220969 0.79 APLNR (0.36) APLNRPARP1PFKFB3RXRAGRIN1
SCHEMBL18192822 0.77 APLNR (0.40) APLNRPARP1
SCHEMBL31073192 0.77 APLNR (0.42) APLNR
SCHEMBL31042359 0.77 APLNR (0.42) APLNR
SCHEMBL408604 0.77 APLNR (0.42) APLNR
SCHEMBL8257350 0.75 PARP1 (0.39) APLNRPARP1PFKFB3RXRAGRIN1

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-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 — — WO disclosed
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