SCHEMBL1101241

SCHEMBL1101241

CCCCCN1C=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
Bromide SCHEMBL27664719 0.98 ALDH1A1 (0.34) GBA2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27649417 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
SCHEMBL29096013 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
SCHEMBL5552727 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
SCHEMBL29045317 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
SCHEMBL6441451 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
SCHEMBL3817691 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
Bromide SCHEMBL29690657 0.98 ALDH1A1 (0.34) GBA2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10456038 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1
SCHEMBL27733984 0.98 PTGS1 (0.34) ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114836795-A Electroforming solution for coating gold and preparation method and application thereof 深圳市铭轩珠宝首饰有限公司 2022-08-02 CN claimed
CN-114018844-A Method for extracting and measuring paeoniflorin in radix paeoniae rubra by pyridine ionic liquid 福建立标低碳研究院有限公司 2022-02-08 CN claimed
CN-108409731-B Chiral resolution of aryl-substituted 1H-pyridine [3,4-b ] indole-3-carboxylic acid methyl ester 西华大学 2020-11-20 CN claimed
CN-107417685-B Non-corresponding selective synthesis of 1-aryl-1H-pyridine [3,4-b ] indole derivatives 西华大学 2019-12-31 CN claimed
CN-109996907-A ELECTROLYTIC NICKEL (ALLOY) PLATING SOLUTION 日本高纯度化学株式会社 2019-07-09 CN claimed
CN-106415919-A Passive metal activation method and application thereof 泰克年研究发展基金会公司 2017-02-15 CN claimed
CN-104073901-B The application in polyurethane composite fibre of the nitrogen containing plasma liquid 杭州师范大学 2017-01-04 CN claimed
CN-105037588-A Isoindole rare earth metal catalyst, preparation method and application BEIJING INST TECHNOLOGY 2015-11-11 CN claimed
CN-104073910-A Application of ionic liquid in polyethylene terephthalate composite fiber SHAOXING JAVA MACROMOLECULAR MATERIAL CO LTD 2014-10-01 CN claimed
CN-104073900-A Application of ionic liquid to polyurethane complex fiber UNIV HANGZHOU NORMAL 2014-10-01 CN claimed
CN-104073899-A Application of ionic liquid in polylactic acid composite fibers UNIV HANGZHOU NORMAL 2014-10-01 CN claimed
CN-104073901-A Application of nitrogen-contained ionic liquid to polyurethane complex fiber UNIV HANGZHOU NORMAL 2014-10-01 CN claimed
CN-101774917-B Method for preparing methyl acetylricinolate UNIV JIANGSU POLYTECHNIC 2013-07-17 CN claimed
CN-102702137-A Synthesis of chiral ionic liquid based on (R)-thiazolidine-2-thione-4-carboxylic acid UNIV XIN JIANG 2012-10-03 CN claimed
CN-102050806-A Method for preparing product containing 5-hydroxymethyl furfural from lignocellulose XUE LI 2011-05-11 CN claimed
CN-101774917-A Method for preparing methyl acetylricinolate UNIV JIANGSU POLYTECHNIC 2010-07-14 CN claimed
EP-0891977-B1 5-(4-Hydroxyphenyl)-porphyrin derivatives as photosensitisers DLR EV (DE) 2003-01-29 EP claimed
CN-114836795-B Electroforming solution for gold cladding and preparation method and application thereof 深圳市铭轩珠宝首饰有限公司 2023-12-19 CN disclosed
US-4548941-A 1,5-Methano-1H-4-benzazonine dicarboxylates, process for preparing and use as calcium blockers MERCK & CO., INC. (US) 1985-10-22 US disclosed
US-4532237-A Treating cardiovascular disorders MERCK & CO., INC. (US) 1985-07-30 US disclosed