SCHEMBL17743

SCHEMBL17743

COc1cccc(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
CHRM2 P08172 3/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
CMA1 P23946 1/20 0.55
CALM1 P0DP23 1/20 0.54
CAMKK2 Q96RR4 1/20 0.54
MAOB P27338 3/20 0.53
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53
LPO P22079 1/20 0.51

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
SCHEMBL29351751 1.00 TAAR1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL11028366 0.98 TAAR1 (0.58) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL4936949 0.88 MAOB (0.54) TAAR1IDO1AGXTMAOBSIGMAR1
1,3-Dimethoxybenzene SCHEMBL27950731 0.88 MAOB (0.65) TAAR1IDO1AGXTCALM1CAMKK2
SCHEMBL4166427 0.87 ALDH1A1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL5398999 0.86 CALM1 (0.51) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL30169530 0.83 TAAR1 (0.67) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL177862 0.83 TAAR1 (0.67) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL723511 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL2099512 0.82 CHRM2 (0.66) TAAR1IDO1AGXTCHRM2CHRM1

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 2348 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724442-A1 AGONISM-ANTAGONISM IN ENDOSOMAL TLRS BY MODULATING CHEMICAL FEATURES IN 8-OXOPURINE: PROCESS FOR PREPARATION AND APPLICATION THEREOF Council of Scientific and Industrial Research (IN) 2026-04-15 EP claimed
CN-115850002-B Method for hydrodehalogenating halogenated alkane 中国科学院兰州化学物理研究所 2025-05-23 CN claimed
CN-117510323-B Preparation method of Ramage Linker intermediate 成都泰莱康科技有限公司 2024-04-05 CN claimed
CN-114651898-B Triazole feed additive for improving immunity as well as preparation method and application thereof 天津溢佳同惠科技集团有限公司 2024-04-05 CN claimed
CN-114773330-B Butylphthalide-oxa/thiadiazole compound and preparation method and application thereof 贵州医科大学 2024-03-15 CN claimed
CN-113620820-B Functionalized magnetic ionic liquid and preparation method and application thereof 辽宁大学 2023-12-29 CN claimed
CN-114805152-B Synthetic method of thioamide 兰州大学 2023-04-14 CN claimed
CN-112047928-B Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof 中国药科大学 2022-09-23 CN claimed
CN-114805152-A Method for synthesizing thioamide 兰州大学 2022-07-29 CN claimed
CN-114773330-A Butylphthalide-oxa/thiadiazole compound and preparation method and application thereof 贵州医科大学 2022-07-22 CN claimed
CN-113620820-A Novel functionalized magnetic ionic liquid and preparation method and application thereof 辽宁大学 2021-11-09 CN claimed
CN-112538025-A Preparation method of fluorine-containing compound for hydrophobic surface treatment agent 湖北福力德鞋业有限责任公司 2021-03-23 CN claimed
CN-112473396-A Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2021-03-12 CN claimed
CN-112047928-A Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN claimed
CN-107936012-B Preparation method of beta-carboline compound for preparing anti-renal fibrosis drug and/or anti-chronic nephrosis drug 安徽和医天下医药科技有限公司 2020-09-01 CN claimed
CN-108299435-A 13- ethanol amine matrine derivatives prepare and its application 广西大学 2018-07-20 CN claimed
CN-107936012-A A kind of preparation method for the beta-carboline compounds for being used to prepare anti-kidney fibrosis medicine and/or anti-chronic kidney disease medicine 临沂齐泽医药技术有限公司 2018-04-20 CN claimed
CN-103922986-B Vildagliptin, vildagliptin analogues and vildagliptin intermediate, and preparation methods of three and application 上海彩迩文生化科技有限公司 2017-02-15 CN claimed
CN-103922986-A Vildagliptin, vildagliptin analogues and vildagliptin intermediate, and preparation methods of three and application SHANGHAI CAIERWEN BIOCHEMICAL TECHNOLOGY CO LTD 2014-07-16 CN claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed