SCHEMBL905060

SCHEMBL905060

COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 13/20 1.00
F3 P13726 7/20 1.00
DRD2 P14416 8/20 0.79
CYP1A2 P05177 3/20 0.79
CYP3A4 P08684 3/20 0.79
CYP2D6 P10635 3/20 0.79
CYP2C19 P33261 3/20 0.79
DRD4 P21917 2/20 0.79
DRD5 P21918 2/20 0.79
DRD3 P35462 2/20 0.79
LMNA P02545 2/20 0.79
ADRA1A P35348 1/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
HTR1A P08908 2/20 0.74
KDM4E B2RXH2 2/20 0.74
ALOX15 P16050 1/20 0.74
HIF1A Q16665 1/20 0.74
HSD17B10 Q99714 1/20 0.74
GAA P10253 1/20 0.74

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
SCHEMBL29362441 1.00 DRD1 (1.00) DRD1F3DRD2CYP1A2CYP3A4
SCHEMBL30287606 1.00 DRD1 (1.00) DRD1F3DRD2CYP1A2CYP3A4
SCHEMBL30000536 1.00 DRD1 (1.00) DRD1F3DRD2CYP1A2CYP3A4
SCHEMBL910461 1.00 DRD1 (1.00) DRD1F3DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3319790 0.99 DRD1 (0.98) DRD1F3DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3319787 0.99 DRD1 (0.98) DRD1F3DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL232164 0.88 F3 (1.00) DRD1F3DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL2786492 0.88 F3 (1.00) DRD1F3DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL30484836 0.88 F3 (1.00) DRD1F3DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL30302597 0.88 F3 (1.00) DRD1F3DRD2CYP1A2CYP3A4

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111544580-B Anti-cancer pharmaceutical composition 中国农业科学院北京畜牧兽医研究所 2021-05-28 CN claimed
CN-111544580-A Anti-cancer pharmaceutical composition 中国农业科学院北京畜牧兽医研究所 2020-08-18 CN claimed
CN-109232557-A A kind of 9-O- aryl replaces the synthesis and purposes of berberinc derivate 常州大学 2019-01-18 CN claimed
CN-106890190-A A kind of preparation of new component with arsenic trioxide composition and purposes 江西中医药大学 2017-06-27 CN claimed
US-20160340704-A1 METHOD OF MAKING A BENZYLISOQUINOLINE ALKALOID (BIA) METABOLITE, ENZYMES THEREFORE CONCORDIA UNIVERSITY (CA) 2016-11-24 US claimed
WO-2015103711-A1 METHOD OF MAKING A BENZYLISOQUINOLINE ALKALOID (BIA) METABOLITE, ENZYMES THEREFORE Valorbec Société en Commandite (CA) 2015-07-16 WO claimed
CN-104478888-A Method for extracting O-methyl nandinine from Nandina domestica SHAANXI JIAHE PHYTOCHEM CO LTD 2015-04-01 CN claimed
CN-103450187-A Tetrahydro-berberrubine derivative and preparation method and application thereof HUZHOU TEACHERS COLLEGE 2013-12-18 CN claimed
CN-102002081-B 9-O-beta-D-glucosyl nandinine as well as preparation method and application thereof UNIV CHINA PHARMA 2013-04-10 CN claimed
CN-101972252-B Application of Tetrahydroberbeine berberrubine in preparing drug for resisting anxiety and depression INST BASIC MED SCIENCES PLA 2012-10-10 CN claimed
CN-102702189-A Application of silica gel in purifying process of tetrahydro berberrubine UNIV CHINA PHARMA 2012-10-03 CN claimed
CN-102000074-A Application of tetrahydroberberrubine in preparation of medicines for curing schizophrenia INST BASIC MED SCIENCES PLA 2011-04-06 CN claimed
CN-102002081-A 9-O-beta-D-glucosyl nandinine as well as preparation method and application thereof UNIV CHINA PHARMA 2011-04-06 CN claimed
CN-101972252-A Application of Tetrahydroberbeine berberrubine in preparing drug for resisting anxiety and depression INST BASIC MED SCIENCES PLA 2011-02-16 CN claimed
CN-101094698-A Biocompatible, biostable coating of medical surfaces HEMOTEQ GMBH (DE) 2007-12-26 CN claimed
JP-8209123-A None JP disclosed
JP-8209123-A None JP disclosed
CN-1961944-A Chinese medicinal composition for treating cough and asthma UNIV SHANGHAI OF T C M (CN) 2007-05-16 CN disclosed
JP-H08209123-A ANTIOXIDANT CONTAINING SCOULERINE OR NANDININE TOPPAN PRINTING CO LTD 1996-08-13 JP disclosed
JP-H08209123-A ANTIOXIDANT CONTAINING SCOULERINE OR NANDININE TOPPAN PRINTING CO LTD 1996-08-13 JP disclosed