SCHEMBL7541795

SCHEMBL7541795

Cc1cccc(N2CCN([C@H]3Cc4c(I)cccc4C[C@@H]3O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB1 P08588 1/20 0.41
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL7541800 1.00 SLC18A3 (0.49) SLC18A3ALDH1A1MAPTRAB9AADRB1
SCHEMBL7541083 0.88 SLC18A3 (0.51) SLC18A3
SCHEMBL7541079 0.88 SLC18A3 (0.51) SLC18A3
SCHEMBL7537731 0.87 SLC18A3 (0.60) SLC18A3
SCHEMBL7537729 0.87 SLC18A3 (0.60) SLC18A3
SCHEMBL7537726 0.87 SLC18A3 (0.60) SLC18A3
SCHEMBL7539027 0.86 SLC18A3 (0.56) SLC18A3
SCHEMBL7539031 0.86 SLC18A3 (0.56) SLC18A3
SCHEMBL7536758 0.85 SLC18A3 (0.58) SLC18A3ALDH1A1MAPTTSHR
SCHEMBL7536763 0.85 SLC18A3 (0.58) SLC18A3ALDH1A1MAPTTSHR

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