SCHEMBL7056582

SCHEMBL7056582

FC(F)(F)c1ccc(OC(CC[AsH2])c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.74
SLC6A2 P23975 4/20 0.74
SLC6A3 Q01959 4/20 0.74
KCNK2 O95069 2/20 0.74
KCNH2 Q12809 2/20 0.74
CACNA1C Q13936 2/20 0.74
SLC7A5 Q01650 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
LMNA P02545 4/20 0.68
HRH3 Q9Y5N1 2/20 0.68
NPC1 O15118 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
MTOR P42345 2/20 0.68
RAB9A P51151 2/20 0.68
CYP3A4 P08684 2/20 0.68
HTR2C P28335 2/20 0.68
KDM4E B2RXH2 1/20 0.68
TP53 P04637 1/20 0.68

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
SCHEMBL5577138 0.85 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL13267598 0.85 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL686500 0.85 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7426717 0.85 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL2690834 0.85 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5574872 0.85 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL3750512 0.85 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Seproxetine SCHEMBL272873 0.85 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL93867 0.84 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL140929 0.84 SLC6A4 (0.97) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 EP claimed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO claimed