SCHEMBL6608925

SCHEMBL6608925

O=C(O)OC1CC(=O)N(C2Cc3ccccc3C2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
ACHE P22303 1/20 0.41
FABP7 O15540 2/20 0.40
FABP5 Q01469 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CTSD P07339 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
NOTUM Q6P988 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
FABP3 P05413 1/20 0.34

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
SCHEMBL6611305 0.80 BCHE (0.59) BCHEACHESMN1; SMN2LMNAALDH1A1
SCHEMBL6609227 0.80 BCHE (0.55) BCHEACHESMN1; SMN2ALDH1A1
SCHEMBL6611149 0.78 MGLL (0.57) BCHEACHESMN1; SMN2ALDH1A1KDM4E
SCHEMBL5841173 0.77 POLB (0.59) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL6613573 0.77 POLB (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL6612825 0.77 POLB (0.59) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL6608839 0.76 BCHE (0.50) BCHEACHESMN1; SMN2LMNAALDH1A1
SCHEMBL1081511 0.75 FABP7 (0.56) BCHEACHEFABP7FABP5SMN1; SMN2
SCHEMBL6610605 0.75 ACHE (0.49) BCHEACHESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6616272 0.74 BCHE (0.47) BCHEACHELMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP claimed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO claimed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed