SCHEMBL9212404

SCHEMBL9212404

NC[C@@H]1COc2ccc(F)cc2O1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
DRD2 P14416 1/20 0.46
ALOX5 P09917 3/20 0.46
LTA4H P09960 2/20 0.45
FFAR1 O14842 2/20 0.42
AIMP2 Q13155 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL9205454 1.00 CA2 (0.55) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL9213269 1.00 CA2 (0.55) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL29444757 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL17272731 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL1043944 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL1043824 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL17150883 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL17272730 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL29481769 0.83 CA2 (0.51) CA2DRD2ALOX5LTA4HFFAR1
SCHEMBL21198157 0.81 CHRNB4 (0.47) CA2DRD2HTR1AADRA2ADRD1

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-0520674-B1 Antipsychotic benzodioxan derivatives AMERICAN HOME PROD (US) 1995-08-16 EP disclosed
EP-0520674-A1 Antipsychotic benzodioxan derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-30 EP disclosed