SCHEMBL7540313

SCHEMBL7540313

CC(=O)Nc1ccccc1N1CCN([C@H]2Cc3cc(I)ccc3C[C@@H]2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.46
POLB P06746 3/20 0.42
MAPK1 P28482 4/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK10 P53779 1/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 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
SCHEMBL7540315 1.00 SLC18A3 (0.46) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL7537520 1.00 SLC18A3 (0.46) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL7540271 0.88 SLC18A3 (0.47) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL7540266 0.88 SLC18A3 (0.47) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL7540276 0.88 SLC18A3 (0.47) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL7540353 0.84 MAPT (0.52) SLC18A3POLBMAPK1SMN1; SMN2GAA
SCHEMBL7540356 0.84 MAPT (0.52) SLC18A3POLBMAPK1SMN1; SMN2GAA
SCHEMBL17511540 0.82 SLC18A3 (0.55) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL17491562 0.82 SLC18A3 (0.55) SLC18A3POLBMAPK1PIM1PIM3
SCHEMBL17506075 0.82 SLC18A3 (0.55) SLC18A3POLBMAPK1PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed