Laurotetanine

Laurotetanine

SCHEMBL905125

COc1cc2c(cc1O)CC1NCCc3cc(OC)c(OC)c-2c31

nearest known ligand 0.89

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.74
ALDH1A1 P00352 5/20 0.72
HPGD P15428 5/20 0.72
KDM4E B2RXH2 4/20 0.72
HSD17B10 Q99714 4/20 0.72
DRD1 P21728 5/20 0.68
HTR2C P28335 2/20 0.68
PTPRCAP Q14761 1/20 0.68
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.67
HTT P42858 1/20 0.67
MCL1 Q07820 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CHRNB2 P17787 5/20 0.62
CHRNA7 P36544 5/20 0.62
CHRNA4 P43681 5/20 0.62
HTR1A P08908 1/20 0.62

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
Laurotetanine SCHEMBL905065 1.00 DRD2 (0.74) DRD2ALDH1A1HPGDKDM4EHSD17B10
Laurotetanine SCHEMBL31300083 1.00 DRD2 (0.74) DRD2ALDH1A1HPGDKDM4EHSD17B10
Norboldine SCHEMBL29402012 0.94 DRD1 (0.71) DRD2ALDH1A1HPGDKDM4EHSD17B10
Norboldine SCHEMBL27987614 0.94 DRD1 (0.71) DRD2ALDH1A1HPGDKDM4EHSD17B10
Norboldine SCHEMBL14367906 0.94 DRD1 (0.71) DRD2ALDH1A1HPGDKDM4EHSD17B10
Norboldine SCHEMBL29886755 0.94 DRD1 (0.71) DRD2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30828734 0.93 DRD1 (0.70) DRD2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14259791 0.92 DRD1 (0.71) DRD2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9976807 0.92 DRD1 (0.76) DRD2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14259787 0.91 ALDH1A1 (0.65) DRD2ALDH1A1HPGDKDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012043900-A1 PHARMACEUTICAL COMPOSITION CONTAINING QUINOLINE DERIVATIVE 동아제약주식회사 (KR) 2012-04-05 WO disclosed