SCHEMBL6609500

SCHEMBL6609500

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 4/20 0.41
BCHE P06276 3/20 0.41
MAOB P27338 3/20 0.41
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.35
CHRNA7 P36544 2/20 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
SCHEMBL6614279 0.92 ALOX15 (0.51) ALOX15ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6611486 0.89 ALOX15 (0.48) ALOX15ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6609890 0.88 ALOX15 (0.48) ALOX15ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6609210 0.88 ALOX15 (0.47) ALOX15ALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL6615517 0.88 ALOX15 (0.47) ALOX15ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL6609870 0.88 ALOX15 (0.55) ALOX15ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6609668 0.85 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL5844178 0.84 ALOX15 (0.61) ALOX15ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6612194 0.83 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL6609900 0.82 ALOX15 (0.43) ALOX15ALDH1A1MAPTSMN1; SMN2KMT2A

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