SCHEMBL6615517

SCHEMBL6615517

CC(C)c1ccccc1N1CC(OC(=O)Nc2ccc(N(Cc3ccccc3)c3ccccc3)cc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
BCHE P06276 6/20 0.45
MAOB P27338 3/20 0.45
ACHE P22303 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR3C2 P08235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6611486 0.91 ALOX15 (0.48) ALOX15BCHEMAOBACHEL3MBTL1
SCHEMBL6609890 0.90 ALOX15 (0.48) ALOX15BCHEMAOBACHEALDH1A1
SCHEMBL6609210 0.90 ALOX15 (0.47) ALOX15BCHEMAOBACHEALDH1A1
SCHEMBL6614279 0.88 ALOX15 (0.51) ALOX15BCHEMAOBACHEALDH1A1
SCHEMBL6609500 0.88 ALOX15 (0.50) ALOX15BCHEMAOBACHEALDH1A1
SCHEMBL5841918 0.85 ALOX15 (0.57) ALOX15L3MBTL1ALDH1A1LMNAHTT
SCHEMBL6609870 0.84 ALOX15 (0.55) ALOX15BCHEMAOBACHEALDH1A1
SCHEMBL6611162 0.84 BCHE (0.39) BCHEMAOBL3MBTL1ALDH1A1LMNA
SCHEMBL6614053 0.82 ALOX15 (0.41) ALOX15BCHEMAOBACHEL3MBTL1
SCHEMBL6613814 0.82 MAPT (0.38) BCHEMAOBALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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