SCHEMBL7536784

SCHEMBL7536784

CC(=O)Nc1ccccc1N1CCN([C@@H]2Cc3c(I)cccc3C[C@H]2O)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 8/20 0.59
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7536778 1.00 SLC18A3 (0.59) SLC18A3KDM4ELMNAGLAGAA
SCHEMBL7536782 1.00 SLC18A3 (0.59) SLC18A3KDM4ELMNAGLAGAA
SCHEMBL17511540 0.97 SLC18A3 (0.55) SLC18A3KDM4ELMNAGLAGAA
SCHEMBL17491562 0.97 SLC18A3 (0.55) SLC18A3KDM4ELMNAGLAGAA
SCHEMBL17506075 0.97 SLC18A3 (0.55) SLC18A3KDM4ELMNAGLAGAA
SCHEMBL7537160 0.88 SLC18A3 (0.62) SLC18A3
SCHEMBL7537155 0.88 SLC18A3 (0.62) SLC18A3
SCHEMBL18708687 0.85 SLC18A3 (0.56) SLC18A3KDM4ELMNAGLAGAA
SCHEMBL17491563 0.85 SLC18A3 (0.59) SLC18A3
SCHEMBL7537899 0.84 SLC18A3 (0.48) SLC18A3

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