SCHEMBL6609668

SCHEMBL6609668

Cc1ccc(C)c(N2CC(OC(=O)Nc3ccc(N(c4ccccc4)C(C)C)cc3)CC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 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
SCHEMBL6612194 0.91 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6611117 0.90 MAPT (0.41) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6612410 0.89 MAPT (0.37) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6611013 0.88 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6612330 0.86 MAPT (0.38) MAPTALDH1A1SMN1; SMN2LMNAACHE
SCHEMBL6611162 0.86 BCHE (0.39) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6614799 0.86 MAPT (0.50) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6609911 0.86 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAACHE
SCHEMBL6608759 0.86 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6609861 0.86 MAPT (0.41) MAPTALDH1A1SMN1; SMN2HTTLMNA

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