SCHEMBL6617034

SCHEMBL6617034

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.37

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 0.91 MTNR1A (0.40) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6612194 0.91 MAPT (0.39) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6611117 0.90 MAPT (0.41) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6610127 0.89 MAPT (0.38) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6613814 0.89 MAPT (0.38) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6611071 0.89 MAPT (0.43) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6610275 0.88 MAPT (0.38) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6615359 0.88 MAPT (0.39) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL5842233 0.86 MAPT (0.56) MTNR1AMTNR1BMAPTNPSR1ALDH1A1
SCHEMBL6615199 0.83 MAPK1 (0.47) MAPTALDH1A1SMN1; SMN2POLB

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