SCHEMBL7540276

SCHEMBL7540276

CC(=O)Nc1ccccc1N1CCN([C@@H]2Cc3cc(N)ccc3C[C@H]2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.47
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7540271 1.00 SLC18A3 (0.47) SLC18A3NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL7540266 1.00 SLC18A3 (0.47) SLC18A3NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL7540315 0.88 SLC18A3 (0.46) SLC18A3NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL7540313 0.88 SLC18A3 (0.46) SLC18A3NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL7537520 0.88 SLC18A3 (0.46) SLC18A3NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL7540353 0.85 MAPT (0.52) SLC18A3POLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL7540356 0.85 MAPT (0.52) SLC18A3POLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL17491563 0.82 SLC18A3 (0.59) SLC18A3
SCHEMBL7537155 0.80 SLC18A3 (0.62) SLC18A3
SCHEMBL7537160 0.80 SLC18A3 (0.62) SLC18A3

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