SCHEMBL8554047

SCHEMBL8554047

CC(O)CC(Oc1ccccc1-c1ccccc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
KCNA5 P22460 3/20 0.47
KCNH2 Q12809 2/20 0.47
ADRA2A P08913 6/20 0.46
ADRA2B P18089 6/20 0.46
ADRA2C P18825 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
NISCH Q9Y2I1 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL8109544 0.82 SMN1; SMN2 (0.44) SLC6A2SLC6A4KCNA5KCNH2SMN1; SMN2
SCHEMBL8555243 0.81 AKR1C3 (0.41) SLC6A4KCNA5SMN1; SMN2CYP11B1CYP11B2
SCHEMBL8555184 0.81 KCNA5 (0.40) SLC6A4KCNA5KCNH2SMN1; SMN2CYP11B1
SCHEMBL8550969 0.80 EPHX1 (0.46) KCNA5KCNH2SMN1; SMN2ADRB2MAOA
SCHEMBL8555652 0.79 PPARG (0.41) KCNA5KCNH2SMN1; SMN2CYP11B1CYP11B2
SCHEMBL8555291 0.78 PPARG (0.43) SLC6A2SLC6A4KCNA5KCNH2SMN1; SMN2
SCHEMBL8552624 0.78 CYP19A1 (0.47) KCNA5SMN1; SMN2CYP11B1CYP11B2ALDH1A1
SCHEMBL2496117 0.77 SLC6A2 (0.61) SLC6A2SLC6A4KCNA5KCNH2ADRA2A
SCHEMBL5752973 0.76 ADRA2A (0.60) SLC6A2SLC6A4KCNA5KCNH2ADRA2A
SCHEMBL8139574 0.75 ALOX5AP (0.39) KCNA5KCNH2SMN1; SMN2ADRB2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed