SCHEMBL6978595

SCHEMBL6978595

CCN1CC(COS(=O)(=O)c2ccccc2C)Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
SIRT1 Q96EB6 4/20 0.39
SIRT2 Q8IXJ6 3/20 0.39
HTR1A P08908 2/20 0.36
THRB P10828 2/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6970471 0.88 SIRT1 (0.47) CA2SIRT1SIRT2HTR1A
SCHEMBL6971601 0.88 HTR1A (0.39) CA2SIRT1SIRT2HTR1ATHRB
SCHEMBL6978072 0.86 LMNA (0.44) CA2SIRT1SIRT2HTR1ATHRB
SCHEMBL6978931 0.84 HTR1A (0.40) CA2SIRT1SIRT2HTR1ATHRB
SCHEMBL6967828 0.83 GRM2 (0.46) CA2HTR1A
SCHEMBL6979029 0.77 LMNA (0.43) CA2HTR1ATHRBMAPK1L3MBTL1
SCHEMBL6979331 0.75 PTGIR (0.41) HTR1ATP53
SCHEMBL6971596 0.74 LMNA (0.42) CA2SIRT1SIRT2HTR1ATHRB
SCHEMBL6970468 0.74 SIRT1 (0.47) SIRT1SIRT2HTR1AMAPK1MAPT
SCHEMBL8115571 0.74 PRMT5 (0.51) CA2TP53MEN1KMT2AMAPT

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