SCHEMBL6610127

SCHEMBL6610127

COc1ccc(C)c(N2CC(OC(=O)Nc3ccc(N(CC4CC4)c4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
TSHR P16473 1/20 0.37
LTC4S Q16873 3/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
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
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
GRIN2B Q13224 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
SCHEMBL6612072 0.92 MTNR1A (0.40) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6612330 0.91 MAPT (0.38) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL6613814 0.90 MAPT (0.38) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6610275 0.90 MAPT (0.38) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6617034 0.89 MTNR1A (0.46) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL5841312 0.88 MAPT (0.52) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6612194 0.87 MAPT (0.39) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6611071 0.85 MAPT (0.43) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6609690 0.83 CRHR1 (0.38) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6611013 0.82 MAPT (0.39) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E

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