SCHEMBL9716882

SCHEMBL9716882

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 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
SCHEMBL28574730 0.96 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7539818 0.96 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7544995 0.96 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7545125 0.96 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3169238 0.83 ANPEP (0.32) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7508602 0.81 TRPA1 (0.31)
SCHEMBL6194459 0.80 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL11063309 0.80 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6194463 0.80 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL1660908 0.79 MTNR1A (0.33)

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-1992009604-A1 6-AZIDO-2-FLUOROPURINE BERLEX BIOSCIENCES, INC. (US) 1992-06-11 WO disclosed