SCHEMBL7536770

SCHEMBL7536770

Cc1ccc(C)c(N2CCN([C@@H]3Cc4c(I)cccc4C[C@H]3O)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.58
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 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
SCHEMBL7536763 1.00 SLC18A3 (0.58) SLC18A3LMNAL3MBTL1TSHRMEN1
SCHEMBL7536758 1.00 SLC18A3 (0.58) SLC18A3LMNAL3MBTL1TSHRMEN1
SCHEMBL7537639 0.90 SLC18A3 (0.47) SLC18A3LMNAALDH1A1
SCHEMBL7537635 0.90 SLC18A3 (0.47) SLC18A3LMNAALDH1A1
SCHEMBL7537073 0.87 SLC18A3 (0.57) SLC18A3TSHRALDH1A1SMN1; SMN2
SCHEMBL7537080 0.87 SLC18A3 (0.57) SLC18A3TSHRALDH1A1SMN1; SMN2
SCHEMBL7537075 0.87 SLC18A3 (0.57) SLC18A3TSHRALDH1A1SMN1; SMN2
SCHEMBL7537803 0.87 SLC18A3 (0.45) SLC18A3LMNATSHRKMT2AALDH1A1
SCHEMBL7537808 0.87 SLC18A3 (0.45) SLC18A3LMNATSHRKMT2AALDH1A1
SCHEMBL7537040 0.86 SLC18A3 (0.58) SLC18A3MAPT

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