SCHEMBL8082584

SCHEMBL8082584

OC(Cc1ccccc1)[C@H]1O[C@H](Br)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL5741827 1.00 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL2045566 0.85 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL2045564 0.85 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6194463 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL1857397 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6194459 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL11063309 0.84 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
Iodide SCHEMBL7250541 0.84
Iodide SCHEMBL7254660 0.84
SCHEMBL7247702 0.83 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027073-A2 ENHANCED EFFECTS FOR HAPTEN CONJUGATED THERAPEUTICS SANGSTAT MEDICAL CORPORATION (US) 2000-08-16 EP disclosed
WO-1998022141-A2 ENHANCED EFFECTS FOR HAPTEN CONJUGATED THERAPEUTICS SANGSTAT MEDICAL CORPORATION (US) 1998-05-28 WO disclosed