SCHEMBL232830

SCHEMBL232830

Brc1ccccc1N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.62
ADRB1 P08588 6/20 0.62
HTR7 P34969 3/20 0.56
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 2/20 0.56
HTR2A P28223 2/20 0.56
HTR5A P47898 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
NCF1 P14598 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
MTOR P42345 1/20 0.56

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
SCHEMBL29446041 1.00 HTR6 (0.62) HTR6ADRB1HTR7HTR3EHTR3B
SCHEMBL10677139 1.00 HTR6 (0.62) HTR6ADRB1HTR7HTR3EHTR3B
Piperazine SCHEMBL28234322 0.98 HTR6 (0.61) HTR6ADRB1HTR7HTR3EHTR3B
Hydrochloric Acid SCHEMBL27845681 0.98 HTR6 (0.61) HTR6ADRB1HTR7HTR3EHTR3B
Ethane SCHEMBL11509421 0.96 ADRB1 (0.61) HTR6ADRB1HTR7HTR3EHTR3B
SCHEMBL8309915 0.89 HTR6 (0.56) HTR6ADRB1HTR7HTR3EHTR3B
SCHEMBL28235242 0.84 MGLL (0.46) HTR6ADRB1HTR1ACYP1A2TSHR
SCHEMBL27926749 0.84 MGLL (0.46) HTR6ADRB1HTR1ACYP1A2TSHR
SCHEMBL15834279 0.84 ADRB1 (0.75) HTR6ADRB1HTR7HTR3EHTR3B
SCHEMBL7582175 0.84 HTR6 (0.54) HTR6ADRB1HTR7HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024376-A Preparation method of hydrobromic acid voltammetric acid duloxetine 寿光富康制药有限公司 2023-11-10 CN claimed
CN-109496211-B Piperazine derivative for resisting candida albicans as well as preparation method and application thereof 华南农业大学 2022-03-22 CN claimed
CN-104829558-B Preparation method of diaryl thioether amine compound 江苏豪森药业集团有限公司 2020-03-03 CN claimed
CN-109438391-A A kind of preparation method of hydrobromic acid Vortioxetine impurity 合肥创新医药技术有限公司 2019-03-08 CN claimed
CN-108314661-A A kind of bis- (2- bromophenyls of 1,4-)The preparation method of piperazine 安徽源久源科技有限公司 2018-07-24 CN claimed
CN-118221612-A Preparation method of l- [2- (2, 4-dimethylbenzenesulfide) -phenyl ] piperazine halogen acid salt 浙江华海药业股份有限公司 2024-06-21 CN disclosed
CN-118221612-A Preparation method of l- [2- (2, 4-dimethylbenzenesulfide) -phenyl ] piperazine halogen acid salt 浙江华海药业股份有限公司 2024-06-21 CN disclosed
CN-117050035-B Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2024-04-02 CN disclosed
CN-117050035-A Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2023-11-14 CN disclosed
CN-117024376-A Preparation method of hydrobromic acid voltammetric acid duloxetine 寿光富康制药有限公司 2023-11-10 CN disclosed
CN-116444461-A Dibenzylbutane lignan LCA derivative and application thereof 中国人民解放军海军军医大学 2023-07-18 CN disclosed
CN-109912514-B (2-heteroarylaminophenyl) nitrogen heterocyclic derivative and application thereof 广东东阳光药业有限公司 2022-11-18 CN disclosed
WO-2001014355-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed
CN-86104256-A 1, the preparation method of 8-bridging 4-quinolone-3-carboxylic-acid 1987-03-18 CN disclosed
US-4159331-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-06-26 US disclosed