SCHEMBL3710148

SCHEMBL3710148

COc1ccc(C(CN)C2(OS(C)(=O)=O)CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 7/20 0.45
SLC6A2 P23975 6/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
CTSK P43235 1/20 0.34
HTT P42858 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
SCHEMBL16675669 0.84 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL5872401 0.82 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3036340 0.80 SLC6A2 (0.48) SLC6A4SLC6A3SLC6A2LMNACNR1
Sulfuric Acid SCHEMBL27999742 0.78 SLC6A2 (0.62) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL12188002 0.75 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8038687 0.75 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL637250 0.75 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3710150 0.74 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrochloric Acid SCHEMBL3325847 0.74 SLC6A2 (0.71) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrogen Sulfide SCHEMBL28158135 0.74 SLC6A2 (0.68) SLC6A4SLC6A3SLC6A2LMNACNR1

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
WO-2010100520-A1 A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE HIKAL LIMITED (IN) 2010-09-10 WO claimed
WO-2010100520-A1 A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE HIKAL LIMITED (IN) 2010-09-10 WO disclosed