SCHEMBL550841

SCHEMBL550841

NCCCc1cccs1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Bromide SCHEMBL11232675 0.98 TAAR1 (0.79)
Hydrochloric Acid SCHEMBL1535324 0.98 TAAR1 (0.79)
SCHEMBL921555 0.93 TAAR1 (0.79)
SCHEMBL8099228 0.91 TAAR1 (0.76)
Hydrochloric Acid SCHEMBL17260635 0.91 TAAR1 (0.76)
SCHEMBL921170 0.91 TAAR1 (0.76)
SCHEMBL8099646 0.91 TAAR1 (0.76)
SCHEMBL8091263 0.91 TAAR1 (0.76)
SCHEMBL8099155 0.91 TAAR1 (0.76)
SCHEMBL8107486 0.91 TAAR1 (0.76)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119121436-A Radiation-proof fabric and preparation method thereof 江苏瑞爱福纺织科技有限公司 2024-12-13 CN claimed
EP-3658550-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-03 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2019020792-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-31 WO claimed
CN-104829587-B The preparation of duloxetine hydrochloride 上海万巷制药有限公司 2017-07-21 CN claimed
WO-2006044645-A2 SULFAMOYL BENZAMIDES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2006-04-27 WO claimed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US claimed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
CN-87108175-A The propylamine that 3-aryloxy-3-replaces 1988-07-06 CN claimed
CN-119955874-A Duloxetine Process for the preparation of intermediates 南京红杉生物科技有限公司 2025-05-09 CN disclosed
CN-119843496-A Radiation-proof fabric and preparation method thereof 浙江芝兰纺织科技有限公司 2025-04-18 CN disclosed
CN-119121436-A Radiation-proof fabric and preparation method thereof 江苏瑞爱福纺织科技有限公司 2024-12-13 CN disclosed
CN-119121436-A Radiation-proof fabric and preparation method thereof 江苏瑞爱福纺织科技有限公司 2024-12-13 CN disclosed
EP-0215297-A2 Substituted dipeptide amides G.D. Searle & Co. (US) 1987-03-25 EP disclosed
US-4506007-A TREATED WITH N,N'-DISUBSTITUTED-S-(DIMETHYLAMINO) ETHYTL)-ISOTHIOUREAS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-19 US disclosed
US-4242474-A A POLYHYDROXY ACRYLIC ESTER REACTED WITH AN ISOCYANATE TERMINATED POLYOXYALKYLENE GLYCOL; BIOPOLYMERS TERUMO CORPORATION (JP) 1980-12-30 US disclosed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US disclosed