SCHEMBL4328

SCHEMBL4328

O=C1N[C@@H](Cc2ccccc2)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.45
HTR1B P28222 6/20 0.45
HTR1A P08908 3/20 0.44
HTR2A P28223 2/20 0.44
KMT2A Q03164 1/20 0.44
ADRA1A P35348 1/20 0.44
MAOB P27338 1/20 0.44
HTR1F P30939 1/20 0.43
POLB P06746 1/20 0.42
SCN9A Q15858 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL7643502 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7643497 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL16106155 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4329 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL137215 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7291306 0.98 HTR1D (0.44) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7291301 0.98 HTR1D (0.44) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL9433756 0.88 HTR1D (0.39) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL3647546 0.83 CACNA1C (0.50) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL15304333 0.83 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A

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

Appears in 3353 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551050-B Preparation method of zolmitriptan key intermediate 湖北天义药业有限公司 2024-11-08 CN claimed
CN-114315749-B Method for synthesizing aliskiren intermediate by continuous flow microreactor 湖南华腾医药有限公司 2024-04-26 CN claimed
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 WO claimed
CN-117551050-A Preparation method of zolmitriptan key intermediate 湖北天义药业有限公司 2024-02-13 CN claimed
CN-117186150-A Preparation method of LFA-1 inhibitor 维眸生物科技(上海)有限公司 2023-12-08 CN claimed
CN-113648429-B Polymer for activating immunity by targeting tumor surrounding cells, and preparation method and application thereof 中山大学 2023-11-10 CN claimed
CN-116874568-A Synthesis method of valpromethazine 中国人民解放军海军军医大学 2023-10-13 CN claimed
CN-112500361-B Preparation method of (S) -4-phenyl-2-oxazolidinone 甘肃瀚聚药业有限公司 2023-05-12 CN claimed
CN-111440046-B Synthetic method of sex pheromone (S) -14-methyl-1-octadecene of lepidoptera pest phyllocladia persica 塔里木大学 2022-09-16 CN claimed
CN-114315749-A Method for synthesizing aliskiren intermediate by continuous flow microreactor 湖南华腾医药有限公司 2022-04-12 CN claimed
WO-2002029001-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF VIRGINIAN PATENT FOUNDATION (US) 2002-04-11 WO claimed
EP-1077926-A1 PROPYLISOPROPYL ACETIC ACID AND PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-02-28 EP claimed
EP-0966429-A1 VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-12-29 EP claimed
WO-1999054282-A1 PROPYLISOPROPYL ACETIC ACID AND PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY (IL) 1999-10-28 WO claimed
EP-0911324-A1 Process for the preparation of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-04-28 EP claimed
WO-1998030536-A1 VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-16 WO claimed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP claimed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP claimed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP claimed
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO claimed