SCHEMBL14614530

SCHEMBL14614530

CC(OS(C)(=O)=O)c1cn(C2=C(F)CCC(Cl)=C2)nn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.30
GRIN1 Q05586 3/20 0.30
GRIN2B Q13224 3/20 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
SCHEMBL5483071 0.72 NR1I2 (0.37) RXRAGRIN1GRIN2B
SCHEMBL5116625 0.69 NOTUM (0.47) RXRAGRIN1GRIN2B
SCHEMBL31014601 0.59 LMNA (0.43)
SCHEMBL20303483 0.55 PSEN1 (0.44)
SCHEMBL13877400 0.55 APLNR (0.46)
SCHEMBL13876351 0.55 APLNR (0.55)
SCHEMBL20303473 0.55 PSEN1 (0.38)
SCHEMBL32682776 0.55 PSEN1 (0.38)
SCHEMBL18263511 0.55 APLNR (0.46)
SCHEMBL13876349 0.55 APLNR (0.55)

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-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed