SCHEMBL6971596

SCHEMBL6971596

Cc1ccc(S(=O)(=O)OCC2CN(CC(C)C)c3ccccc3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 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
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTR1A P08908 1/20 0.39
P2RX4 Q99571 1/20 0.38
CA2 P00918 1/20 0.37
THRB P10828 1/20 0.36
SIRT1 Q96EB6 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
GRM2 Q14416 1/20 0.35
PTGIR P43119 1/20 0.34
VDR P11473 1/20 0.34
ELANE P08246 1/20 0.34

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) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6971601 0.87 HTR1A (0.39) LMNAALDH1A1MAPK1HTR1ACA2
SCHEMBL6979029 0.86 LMNA (0.43) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6978928 0.85 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6970468 0.85 SIRT1 (0.47) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL730472 0.83 PTGIR (0.46) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL9699072 0.81 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6967825 0.80 GRM2 (0.54) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL12695869 0.79 MAPT (0.48) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL12614497 0.79 CASR (0.47) 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