SCHEMBL9844131

SCHEMBL9844131

O=C1OC(CCN2CCC(Cc3ccccc3)CC2)CN1c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.55
GRIN2B Q13224 4/20 0.54
GRIN2A Q12879 3/20 0.54
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
CCR3 P51677 1/20 0.46

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
SCHEMBL9844101 0.92 GRM2 (0.64) GRM2SLC6A2SLC6A4CCR3
SCHEMBL9844211 0.90 GRM2 (0.55) GRM2SLC6A2SLC6A4CCR3
SCHEMBL9844385 0.90 SLC6A2 (0.58) GRM2SLC6A2SLC6A4CCR3
SCHEMBL9677541 0.89 GRM2 (0.57) GRM2GRIN2BGRIN2AGRIN2DGRIN3B
SCHEMBL9844291 0.87 GRM2 (0.55) GRM2GRIN2BGRIN1
Hydrochloric Acid SCHEMBL9844260 0.86 GRM2 (0.54) GRM2GRIN2BGRIN1
SCHEMBL9844119 0.83 GRM2 (0.56) GRM2SLC6A2SLC6A4
SCHEMBL9844448 0.82 ABCB1 (0.55) GRM2SLC6A2SLC6A4
SCHEMBL2757852 0.82 GRM2 (0.81) GRM2
SCHEMBL9844084 0.81 GRM2 (0.57) GRM2SLC6A4CCR3

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
EP-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed