SCHEMBL6612072

SCHEMBL6612072

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MAPT P10636 6/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 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
SCHEMBL6613814 0.92 MAPT (0.38) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL6610127 0.92 MAPT (0.38) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL6610275 0.91 MAPT (0.38) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL6611013 0.91 MAPT (0.39) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL6617034 0.91 MTNR1A (0.46) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL6609690 0.89 CRHR1 (0.38) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL6612194 0.88 MAPT (0.39) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL5842398 0.87 MAPT (0.54) MAPTTSHRALDH1A1NPSR1KDM4E
SCHEMBL6611071 0.87 MAPT (0.43) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL6612330 0.82 MAPT (0.38) MAPTALDH1A1NPSR1KDM4EHPGD

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