SCHEMBL6611071

SCHEMBL6611071

COc1ccc(C)c(N2CC(OC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MTNR1B P49286 3/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MTNR1A P48039 2/20 0.41
PSMB5 P28074 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1I2 O75469 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6608759 0.89 MAPT (0.43) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL6617034 0.89 MTNR1A (0.46) MAPTMTNR1BTSHRALDH1A1MTNR1A
SCHEMBL6610719 0.87 SLC2A1 (0.45) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL6612072 0.87 MTNR1A (0.40) MAPTMTNR1BTSHRALDH1A1MEN1
SCHEMBL6612194 0.87 MAPT (0.39) MAPTMTNR1BTSHRALDH1A1MEN1
SCHEMBL6615199 0.86 MAPK1 (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL6613814 0.85 MAPT (0.38) MAPTMTNR1BTSHRALDH1A1MEN1
SCHEMBL6610127 0.85 MAPT (0.38) MAPTMTNR1BTSHRALDH1A1MEN1
SCHEMBL5842932 0.85 MAPT (0.60) MAPTMTNR1BTSHRALDH1A1KMT2A
SCHEMBL6613763 0.85 MAPT (0.52) MAPTMTNR1BTSHRALDH1A1MTNR1A

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