SCHEMBL7343448

SCHEMBL7343448

CN1CCN(CC(=O)N(c2ccccc2)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CACNA2D1 P54289 5/20 0.43
CACNA1B Q00975 5/20 0.43
CACNB1 Q02641 5/20 0.43
CACNA1C Q13936 5/20 0.43
OPRK1 P41145 1/20 0.41
TLR7 Q9NYK1 2/20 0.41
GAA P10253 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL7342363 0.83 ALDH1A1 (0.48) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7349932 0.82 LMNA (0.52) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7343209 0.81 ALDH1A1 (0.51) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL7339001 0.80 ALDH1A1 (0.44) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7343423 0.79 ESR1 (0.46) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7341656 0.79 CACNA2D1 (0.52) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7339023 0.78 CACNA2D1 (0.65) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7342508 0.76 CACNA2D1 (0.54) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7340551 0.76 CACNA2D1 (0.56) ALDH1A1LMNATP53L3MBTL1TSHR
SCHEMBL7370201 0.75 CACNA2D1 (0.65) ALDH1A1LMNATP53L3MBTL1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658157-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-06-21 EP claimed
WO-1994005648-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-17 WO claimed
EP-0658157-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-06-21 EP disclosed
WO-1994005648-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-17 WO disclosed
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed