SCHEMBL6611486

SCHEMBL6611486

CCN(c1ccccc1)c1ccc(NC(=O)OC2CC(=O)N(c3ccccc3C(C)C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
BCHE P06276 3/20 0.40
MAOB P27338 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6609890 0.92 ALOX15 (0.48) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL6609210 0.91 ALOX15 (0.47) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL6615517 0.91 ALOX15 (0.47) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL6614279 0.90 ALOX15 (0.51) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL6609500 0.89 ALOX15 (0.50) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL6614053 0.89 ALOX15 (0.41) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL6609870 0.86 ALOX15 (0.55) ALOX15BCHEMAOBMEN1KMT2A
SCHEMBL5841574 0.84 ALOX15 (0.59) ALOX15MEN1KMT2AALDH1A1LMNA
SCHEMBL6611013 0.83 MAPT (0.39) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL6612072 0.81 MTNR1A (0.40) MEN1KMT2AALDH1A1LMNAHTT

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