SCHEMBL6609210

SCHEMBL6609210

CC(C)c1ccccc1N1CC(OC(=O)Nc2ccc(N(CC3CC3)c3ccccc3)cc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
BCHE P06276 8/20 0.41
MAOB P27338 4/20 0.41
ACHE P22303 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNA7 P36544 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6609890 0.90 ALOX15 (0.48) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6615517 0.90 ALOX15 (0.47) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6614279 0.88 ALOX15 (0.51) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6609500 0.88 ALOX15 (0.50) ALOX15BCHEMAOBACHEMEN1
SCHEMBL5841837 0.85 ALOX15 (0.57) ALOX15MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6609870 0.84 ALOX15 (0.55) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6612330 0.84 MAPT (0.38) BCHEMAOBACHECHRNA7ALDH1A1
SCHEMBL6614053 0.82 ALOX15 (0.41) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6610127 0.82 MAPT (0.38) MEN1KMT2AALDH1A1SMN1; SMN2

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