SCHEMBL563496

SCHEMBL563496

COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@H]3NCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 1.00
KDM4E B2RXH2 2/20 0.98
ALDH1A1 P00352 2/20 0.98
HPGD P15428 2/20 0.98
HSD17B10 Q99714 1/20 0.98
DRD1 P21728 5/20 0.73
HTR2C P28335 3/20 0.73
PTPRCAP Q14761 1/20 0.73
DYRK1A Q13627 1/20 0.54
ADRB2 P07550 3/20 0.52
HTR1A P08908 3/20 0.52
HTR7 P34969 2/20 0.52
HTR2B P41595 2/20 0.52
HTR6 P50406 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRB3 P13945 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52

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
SCHEMBL23949488 1.00 DRD2 (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29039792 0.90 DRD2 (0.81) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9976807 0.86 DRD1 (0.76) DRD2KDM4EALDH1A1HPGDHSD17B10
Laurotetanine SCHEMBL905065 0.85 DRD2 (0.74) DRD2KDM4EALDH1A1HPGDHSD17B10
Laurotetanine SCHEMBL905125 0.85 DRD2 (0.74) DRD2KDM4EALDH1A1HPGDHSD17B10
Laurotetanine SCHEMBL31300083 0.85 DRD2 (0.74) DRD2KDM4EALDH1A1HPGDHSD17B10
Nornuciferine SCHEMBL29787894 0.85 HTR2C (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
Nornuciferine SCHEMBL29501026 0.85 HTR2C (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30298991 0.83 DRD2 (0.71) DRD2KDM4EALDH1A1HPGDHSD17B10
Norcorydine SCHEMBL31504460 0.81 DRD2 (0.69) DRD2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105367494-A Sinomenine derivative and preparing method thereof RUIAN PULUO BIOLOGICAL SCIENCE & TECH CO LTD 2016-03-02 CN claimed
CN-103232467-B A kind of Sinomenine structure-modified compound and preparation method thereof ZHENGQING PHARMACEUTICAL GROUP CORP., LTD., HUNAN PROV. (CN) 2015-11-18 CN claimed
CN-104672142-A Preparation and medical purpose of dual structure sinomenine derivative UNIV JIANGSU 2015-06-03 CN claimed
CN-104649854-A Cheap and efficient preparation method of aryl halides UNIV BEIJING 2015-05-27 CN claimed
CN-104497167-A Hyaluronic acid derivative and therapeutic thereof SHANDONG PHARMACEUTICAL ACADEMY 2015-04-08 CN claimed
CN-104311489-A Green environmentally-friendly industrial sinomenine extraction and separation method WANG XIAOLING 2015-01-28 CN claimed
CN-104193680-A Method for extracting sinomenine hydrochloride from caulis sinomenii NANJING BIAOKE BIO TECHNOLOGY CO LTD 2014-12-10 CN claimed
CN-102304087-B Cucoline derivative as well as salts, preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-08-13 CN claimed
CN-102260212-B Sinomenine derivatives, and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2014-05-21 CN claimed
CN-103232467-A Kukoline structurally-reconstructed compound and preparation method thereof HUNAN ZHENGQIN PHARMACEUTICAL GROUP CO LTD 2013-08-07 CN claimed
CN-1298720-C Sinomenine derivative with C cycle connected to penetabasic heterocycle and synthesizing method SHANGHAI INST ORGANIC CHEM (CN) 2007-02-07 CN claimed
CN-1785976-A N-alkyl diversine and its preparation method NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-06-14 CN claimed
CN-1687065-A Derivative of sinomenine with pyrazinc cyclc being connected to C cycle, synthetic method and application SHANGHAI INST ORGANIC CHEM (CN) 2005-10-26 CN claimed
CN-1687070-A Sinomenine derivative with C cycle connected to penetabasic heterocycle and synthesizing method SHANGHAI INST ORGANIC CHEM (CN) 2005-10-26 CN claimed
CN-1174983-C Method for purifying diversine 上海中医药大学 2004-11-10 CN claimed
CN-1405167-A Method for purifying diversine SHANGHAI TRADITIONAL CHINESE M (CN) 2003-03-26 CN claimed
CN-1053892-C Preparation method of diversine TIANCHENG MEDICINE BIOLOG ENGR (CN) 2000-06-28 CN claimed
CN-1153171-A Anticancer preparation XI AN MEDICAL UNIV (CN) 1997-07-02 CN claimed
CN-1125724-A Preparation method of diversine TIANCHENG MEDICINE BIOLOG ENGI (CN) 1996-07-03 CN claimed
CN-1113270-A Preparation for organic inclusion compound large crystal with second-order nonlinear optical effect UNIV LIAONING NORMAL (CN) 1995-12-13 CN claimed