SCHEMBL30828734

SCHEMBL30828734

COc1cc2c(cc1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.70
DRD2 P14416 4/20 0.70
HTR2C P28335 3/20 0.70
ALDH1A1 P00352 5/20 0.66
HPGD P15428 5/20 0.66
HSD17B10 Q99714 5/20 0.66
KDM4E B2RXH2 4/20 0.66
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
HTT P42858 1/20 0.64
MCL1 Q07820 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PTPRCAP Q14761 1/20 0.61
CHRNB2 P17787 5/20 0.57
CHRNA7 P36544 5/20 0.57
CHRNA4 P43681 5/20 0.57
CYP2D6 P10635 3/20 0.57

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
Norboldine SCHEMBL29402012 0.96 DRD1 (0.71) DRD1DRD2HTR2CALDH1A1HPGD
Norboldine SCHEMBL27987614 0.96 DRD1 (0.71) DRD1DRD2HTR2CALDH1A1HPGD
Norboldine SCHEMBL14367906 0.96 DRD1 (0.71) DRD1DRD2HTR2CALDH1A1HPGD
Norboldine SCHEMBL29886755 0.96 DRD1 (0.71) DRD1DRD2HTR2CALDH1A1HPGD
SCHEMBL14259791 0.94 DRD1 (0.71) DRD1DRD2HTR2CALDH1A1HPGD
Laurotetanine SCHEMBL31300083 0.93 DRD2 (0.74) DRD1DRD2HTR2CALDH1A1HPGD
Laurotetanine SCHEMBL905065 0.93 DRD2 (0.74) DRD1DRD2HTR2CALDH1A1HPGD
Laurotetanine SCHEMBL905125 0.93 DRD2 (0.74) DRD1DRD2HTR2CALDH1A1HPGD
SCHEMBL14259787 0.89 ALDH1A1 (0.65) DRD1DRD2HTR2CALDH1A1HPGD
SCHEMBL11055620 0.87 ALDH1A1 (0.69) DRD1DRD2HTR2CALDH1A1HPGD

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
CN-117723684-A Cordate houttuynia quality analysis method based on metabonomics 中山市中智药业集团有限公司 2024-03-19 CN claimed
CN-121754546-A Use of LAETANINE in preparing medicine for preventing and/or treating gastric ulcer 河南中医药大学 2026-03-31 CN disclosed
CN-121754546-A Use of LAETANINE in preparing medicine for preventing and/or treating gastric ulcer 河南中医药大学 2026-03-31 CN disclosed
CN-117723684-A Cordate houttuynia quality analysis method based on metabonomics 中山市中智药业集团有限公司 2024-03-19 CN disclosed