SCHEMBL6970468

SCHEMBL6970468

Cc1ccc(S(=O)(=O)OCC2CN(Cc3ccccc3)c3ccccc3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.47
SIRT2 Q8IXJ6 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
P2RX4 Q99571 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGIR P43119 1/20 0.40
HTR1A P08908 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
SCHEMBL6978072 0.88 LMNA (0.44) SIRT1SIRT2LMNAALDH1A1CYP3A4
SCHEMBL6970471 0.87 SIRT1 (0.47) SIRT1SIRT2NISCHHTR1A
SCHEMBL15757831 0.87 GRM2 (0.46) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6979029 0.86 LMNA (0.43) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6971596 0.85 LMNA (0.42) SIRT1SIRT2LMNAALDH1A1CYP3A4
SCHEMBL730472 0.83 PTGIR (0.46) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6967825 0.82 GRM2 (0.54) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL12614254 0.81 MAPT (0.47) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL9699072 0.81 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6978928 0.81 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2D6TSHR

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