SCHEMBL6609690

SCHEMBL6609690

CCN(c1ccc(NC(=O)OC2CC(=O)N(c3cc(OC)ccc3C)C2)cc1)c1nc(C)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 1/20 0.36
HIF1A Q16665 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL6610748 0.91 ALDH1A1 (0.36) CRHR1HPGDNPSR1MAPTALDH1A1
SCHEMBL6615359 0.90 MAPT (0.39) HPGDNPSR1POLBMAPTALDH1A1
SCHEMBL6612072 0.89 MTNR1A (0.40) HPGDNPSR1POLBMAPTALDH1A1
SCHEMBL5843000 0.88 MAPT (0.49) HPGDNPSR1POLBMAPTALDH1A1
SCHEMBL6610719 0.84 SLC2A1 (0.45) HPGDNPSR1POLBMAPTALDH1A1
SCHEMBL6611922 0.84 ALDH1A1 (0.48) HPGDNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL6614053 0.83 ALOX15 (0.41) HPGDPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL6613814 0.83 MAPT (0.38) HPGDNPSR1POLBMAPTALDH1A1
SCHEMBL6610127 0.83 MAPT (0.38) HPGDNPSR1POLBMAPTALDH1A1
SCHEMBL6610275 0.82 MAPT (0.38) HPGDNPSR1POLBMAPTALDH1A1

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