SCHEMBL6971601

SCHEMBL6971601

Cc1ccccc1S(=O)(=O)OCC1CN(CC(C)C)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
CA2 P00918 3/20 0.37
SIRT1 Q96EB6 5/20 0.37
SIRT2 Q8IXJ6 3/20 0.37
ALDH1A1 P00352 1/20 0.35
CASR P41180 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 2/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
PTGIR P43119 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6978595 0.88 CA2 (0.39) HTR1ACA2SIRT1SIRT2MEN1
SCHEMBL6971596 0.87 LMNA (0.42) HTR1ACA2SIRT1SIRT2ALDH1A1
SCHEMBL6978931 0.85 HTR1A (0.40) HTR1ACA2SIRT1SIRT2CASR
SCHEMBL6970471 0.85 SIRT1 (0.47) HTR1ACA2SIRT1SIRT2
SCHEMBL6967828 0.80 GRM2 (0.46) HTR1ACA2CASR
SCHEMBL6978072 0.74 LMNA (0.44) HTR1ACA2SIRT1SIRT2ALDH1A1
SCHEMBL6967343 0.73 HTR1A (0.46) HTR1ASIRT1SIRT2CASRMCL1
SCHEMBL6979029 0.72 LMNA (0.43) HTR1ACA2ALDH1A1THRBPTGIR
SCHEMBL6979331 0.72 PTGIR (0.41) HTR1ATP53PTGIR
SCHEMBL6978928 0.72 LMNA (0.44) HTR1ACA2ALDH1A1THRBPTGIR

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 4 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-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