SCHEMBL6967828

SCHEMBL6967828

Cc1ccccc1S(=O)(=O)OCC1CN(c2ccccc2)c2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.46
CASR P41180 1/20 0.42
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
HTR1A P08908 2/20 0.39
CA2 P00918 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
SCHEMBL6967825 0.86 GRM2 (0.54) GRM2CASR
SCHEMBL9455313 0.84 GRM2 (0.49) GRM2CASRHTR1A
SCHEMBL6978595 0.83 CA2 (0.39) HTR1ACA2
SCHEMBL6978931 0.83 HTR1A (0.40) CASRHTR1ACA2
SCHEMBL6970471 0.82 SIRT1 (0.47) HTR1ACA2
SCHEMBL6971601 0.80 HTR1A (0.39) CASRHTR1ACA2
SCHEMBL9190001 0.75 GRM2 (0.46) GRM2
SCHEMBL6979331 0.74 PTGIR (0.41) HTR1A
SCHEMBL31343616 0.73 GRM2 (0.52) GRM2CASRCA2
SCHEMBL8115571 0.73 PRMT5 (0.51) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040581-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed