SCHEMBL1109844

SCHEMBL1109844

CCC(Br)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
LTA4H P09960 3/20 0.39
CA4 P22748 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KCNA3 P22001 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL17911630 0.88 ESR1 (0.39) LMNATSHRALDH1A1MAPTPPARG
SCHEMBL17911613 0.84 GPBAR1 (0.37) MTNR1AMTNR1BLMNATSHRALDH1A1
SCHEMBL10921611 0.84 TSHR (0.38) SLC6A4LTA4HCA4MTNR1AMTNR1B
SCHEMBL11662030 0.83 SLC6A4 (0.41) SLC6A4LMNAALDH1A1MAPTCHRNA7
SCHEMBL2773412 0.83 SLC6A4 (0.41) SLC6A4LTA4HCA4MTNR1AMTNR1B
SCHEMBL28484784 0.82 SLC6A4 (0.38) SLC6A4LTA4HCA4MTNR1AMTNR1B
SCHEMBL29009109 0.80 ELANE (0.59) LMNAALDH1A1MAPTPPARA
SCHEMBL8814953 0.79 LTA4H (0.44) SLC6A4LTA4HLMNAALDH1A1PPARG
SCHEMBL17911626 0.79 CA12 (0.36) SLC6A4CA4MTNR1AMTNR1BLMNA
SCHEMBL11463800 0.78 KDM4E (0.37) SLC6A4LTA4HCA4MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN claimed
CN-111018678-B Preparation method of high-purity 3-phenoxy bromopropane 山东省药学科学院 2022-08-09 CN claimed
CN-110655642-B Carbazolyl-containing quaternary phosphonium salt and metalloporphyrin polymer microporous material as well as preparation method and application thereof 海南大学 2022-07-08 CN claimed
CN-112645971-B Method for directly preparing alkyl borate compound from alkyl halide 中国科学院兰州化学物理研究所 2021-12-24 CN claimed
CN-113683492-A Preparation method of 3-phenoxybromopropane or analogue thereof 常熟理工学院 2021-11-23 CN claimed
CN-113578380-A Column [5] arene ionic liquid catalyst based on propylimidazole functionalization and preparation method thereof 辽宁东科药业有限公司 2021-11-02 CN claimed
CN-111018678-A Preparation method of high-purity 3-phenoxy bromopropane 山东省药学科学院 2020-04-17 CN claimed
WO-2016162878-A1 AN ADVANTAGEOUS PROCESS FOR PREPARING 1-AZONIABICYCLO[2.2.2]OCTANE,3-[(HYDROXYDI-2-THIENYLACETYL)OXY]-1-(3¬PHENOXYPROPYL)-, BROMIDE, (3R)- AND ITS NOVEL CRYSTALLINE FORM-I HARMAN FINOCHEM LIMITED (IN) 2016-10-13 WO claimed
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US claimed
US-20060041104-A1 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX CORPORATION (US) 2006-02-23 US claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
CN-122010944-A TBC1D 2-targeted aromatic methyl alkenyl matrine derivative and preparation method and application thereof 广西大学 2026-05-12 CN disclosed
CN-121824425-A Compound MDMB-BUTINACA-D3And preparation and application thereof 上海原思标物科技有限公司 2026-04-10 CN disclosed
CN-117903096-A Cinnamoyl-substituted unsaturated nitrogen-containing heterocycle-containing oxygen-containing compound, composition, preparation method and application 贵州大学 2024-04-19 CN disclosed
CN-114450263-B Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium 株式会社力森诺科 2023-11-21 CN disclosed
EP-0016261-A1 Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-01 EP disclosed
EP-0013424-A1 Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-23 EP disclosed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198418-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-3971823-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-07-27 US disclosed