SCHEMBL6609900

SCHEMBL6609900

Cc1cc(C)nc(N(C)c2ccc(NC(=O)OC3CC(=O)N(c4ccccc4C(C)C)C3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ACHE P22303 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 3/20 0.35
BCHE P06276 2/20 0.34
MAOB P27338 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RY1 P47900 1/20 0.33

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
SCHEMBL6614053 0.90 ALOX15 (0.41) ALOX15ACHEALDH1A1HCRTR1HCRTR2
SCHEMBL6614279 0.88 ALOX15 (0.51) ALOX15ACHEALDH1A1MAPTBCHE
SCHEMBL6610853 0.86 ALOX15 (0.45) ALOX15ACHEALDH1A1MAPTBCHE
SCHEMBL5841640 0.86 ALOX15 (0.52) ALOX15ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL6613841 0.84 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL6609399 0.82 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL6615359 0.82 MAPT (0.39) ALDH1A1HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL6609500 0.82 ALOX15 (0.50) ALOX15ACHEALDH1A1MAPTBCHE
SCHEMBL6613611 0.81 ACHE (0.42) ACHEALDH1A1MAPTBCHESMN1; SMN2
SCHEMBL6609870 0.81 ALOX15 (0.55) ALOX15ACHEALDH1A1MAPTBCHE

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