SCHEMBL7537228

SCHEMBL7537228

Cc1ccc(C)c(N2CCN([C@H]3Cc4cc(I)ccc4C[C@@H]3O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7536882 1.00 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7536879 1.00 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7537234 1.00 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7537232 1.00 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7536876 1.00 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7541824 0.86 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7541826 0.86 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7537251 0.86 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7537244 0.86 SLC18A3 (0.60) SLC18A3SMN1; SMN2GAAALOX12TSHR
SCHEMBL7538957 0.81 SLC18A3 (0.55) SLC18A3SMN1; SMN2GAAALOX12TSHR

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