SCHEMBL81913

SCHEMBL81913

CSc1ccc(CCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.51
CYP4A11 Q02928 2/20 0.47
CA2 P00918 1/20 0.46
HTT P42858 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
PPARA Q07869 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP4F2 P78329 1/20 0.42

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
SCHEMBL10488106 0.94 CYP4A11 (0.49) SLC6A4CYP4A11CA2HTTMAOA
SCHEMBL1097266 0.86 CA2 (0.52) SLC6A4CYP4A11CA2HTTMAOA
SCHEMBL239040 0.81 CA2 (0.60) SLC6A4CYP4A11CA2SLC6A2SLC6A3
SCHEMBL8641530 0.80 CA2 (0.50) SLC6A4CA2MAOASLC6A2SLC6A3
SCHEMBL7289474 0.78 SLC6A4 (0.50) SLC6A4CA2MAOASLC6A2SLC6A3
SCHEMBL7297985 0.78 SLC6A4 (0.45) SLC6A4CA2MAOASLC6A2SLC6A3
SCHEMBL4460695 0.78 SLC6A4 (0.45) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL7289466 0.78 SLC6A4 (0.46) SLC6A4CA2MAOASLC6A2SLC6A3
SCHEMBL10665168 0.78 SLC6A4 (0.45) SLC6A4CA2MAOASLC6A2SLC6A3
SCHEMBL81028 0.78 SLC6A4 (0.45) SLC6A4CA2MAOASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
US-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
EP-3381913-B1 2-(((PYRROLIDIN-3-YL)CARBONYL)AMINO)-1H-IMIDAZOLE DERIVATIVES AS MELANOCORTIN RECEPTOR 1 (MCR1) AGONISTS FOR TREATING RHEUMATOID ARTHRITIS MITSUBISHI TANABE PHARMA CORP (JP) 2021-03-31 EP disclosed
US-20200073237-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-05 US disclosed
WO-2017090743-A1 NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2017-06-01 WO disclosed
EP-2809156-B1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) UNIV TEXAS (US) 2017-05-24 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 US disclosed
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0223410-A2 Ethanolamine Derivatives GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 EP disclosed