SCHEMBL7537808

SCHEMBL7537808

COc1ccc(C)c(N2CCN(C3Cc4c(I)cccc4CC3O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.45
HTR1A P08908 4/20 0.42
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL7537803 1.00 SLC18A3 (0.45) SLC18A3HTR1ANPC1RECQLALDH1A1
SCHEMBL7539360 0.88 SLC18A3 (0.51) SLC18A3HTR1A
SCHEMBL7539362 0.88 SLC18A3 (0.51) SLC18A3HTR1A
SCHEMBL7536758 0.87 SLC18A3 (0.58) SLC18A3ALDH1A1LMNAMAPTTSHR
SCHEMBL7536763 0.87 SLC18A3 (0.58) SLC18A3ALDH1A1LMNAMAPTTSHR
SCHEMBL7536770 0.87 SLC18A3 (0.58) SLC18A3ALDH1A1LMNAMAPTTSHR
SCHEMBL7537639 0.86 SLC18A3 (0.47) SLC18A3ALDH1A1LMNA
SCHEMBL7537635 0.86 SLC18A3 (0.47) SLC18A3ALDH1A1LMNA
SCHEMBL7537075 0.83 SLC18A3 (0.57) SLC18A3ALDH1A1TSHR
SCHEMBL7537080 0.83 SLC18A3 (0.57) SLC18A3ALDH1A1TSHR

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