SCHEMBL7540751

SCHEMBL7540751

O=[N+]([O-])c1ccc2c(c1)C[C@H](O)[C@@H](N1CCN(c3ccccc3)CC1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.54
ALDH1A1 P00352 4/20 0.50
HTR1A P08908 1/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.47
PAX8 Q06710 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7540756 1.00 SLC18A3 (0.54) SLC18A3ALDH1A1HTR1AMAPTLMNA
SCHEMBL7540353 0.81 MAPT (0.52) SLC18A3ALDH1A1HTR1AMAPTGAA
SCHEMBL7540356 0.81 MAPT (0.52) SLC18A3ALDH1A1HTR1AMAPTGAA
SCHEMBL11604926 0.81 SLC18A3 (0.64) SLC18A3
SCHEMBL11604923 0.81 SLC18A3 (0.64) SLC18A3
SCHEMBL11606890 0.81 SLC18A3 (0.64) SLC18A3
SCHEMBL7538963 0.80 SLC18A3 (0.55) SLC18A3ALDH1A1HTR1AMAPTLMNA
SCHEMBL7538957 0.80 SLC18A3 (0.55) SLC18A3ALDH1A1HTR1AMAPTLMNA
SCHEMBL7537679 0.80 SLC18A3 (0.55) SLC18A3ALDH1A1HTR1AMAPTLMNA
SCHEMBL7537678 0.80 SLC18A3 (0.55) SLC18A3ALDH1A1HTR1AMAPTLMNA

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