SCHEMBL6611013

SCHEMBL6611013

CCN(c1ccccc1)c1ccc(NC(=O)OC2CC(=O)N(c3cc(C)ccc3C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6612330 0.91 MAPT (0.38) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6611162 0.91 BCHE (0.39) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6612410 0.91 MAPT (0.37) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6612072 0.91 MTNR1A (0.40) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6611117 0.90 MAPT (0.41) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6613107 0.90 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6610748 0.88 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2TP53NPSR1
SCHEMBL6609668 0.88 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6614799 0.86 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL6609911 0.86 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNATP53

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