SCHEMBL6429588

SCHEMBL6429588

CCCCCC1NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.59
SLC22A1 O15245 1/20 0.56
OPRM1 P35372 6/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Ammonia Solution, Strong SCHEMBL28831335 0.98 PRCP (0.57) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL27985631 0.95 PRCP (0.60) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL1009943 0.89 PRCP (0.64) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL20365826 0.88 PRCP (0.48) PRCPSLC22A1OPRM1OPRK1SMN1; SMN2
SCHEMBL6923373 0.84 PRCP (0.40) PRCPSLC22A1ALDH1A1
SCHEMBL9480995 0.84 PRCP (0.41) PRCPSLC22A1OPRM1OPRK1SMN1; SMN2
SCHEMBL4340398 0.83 PRCP (0.58) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL38665128 0.83 CYP2D6 (0.39) PRCPSLC22A1ALDH1A1
SCHEMBL29532113 0.83 CYP2D6 (0.39) PRCPSLC22A1ALDH1A1
SCHEMBL29768301 0.82 PRCP (0.68) PRCPSLC22A1OPRM1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586182-A Preparation method of 1-cyano-2-substituted 1,2,3,4 tetrahydroisoquinoline compound 遵义医科大学 2024-02-23 CN claimed
CN-114874139-A Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline 新疆大学 2022-08-09 CN claimed
CN-106967216-B A kind of covalent organic framework material and the preparation method and application thereof of imines connection 吉林大学 2019-08-02 CN claimed
CN-106967216-A A kind of covalent organic framework material of imines connection and preparation method and application 吉林大学 2017-07-21 CN claimed
CN-113950477-B Granulin precursor modulators and methods of use thereof 阿库达医疗公司 2024-07-05 CN disclosed
CN-117603139-A Preparation method of 1- (hetero) aryl-2- (sulfonyl) -1,2,3,4 tetrahydroisoquinoline compound 遵义医科大学 2024-02-27 CN disclosed
CN-117586182-A Preparation method of 1-cyano-2-substituted 1,2,3,4 tetrahydroisoquinoline compound 遵义医科大学 2024-02-23 CN disclosed
CN-117586182-A Preparation method of 1-cyano-2-substituted 1,2,3,4 tetrahydroisoquinoline compound 遵义医科大学 2024-02-23 CN disclosed
CN-116813456-A Method for synthesizing cyclic carbonyl compounds from benzylidene compounds 华东理工大学 2023-09-29 CN disclosed
CN-114957207-A Application of water-soluble photocatalyst in photocatalytic reaction 中国人民解放军海军军医大学 2022-08-30 CN disclosed
CN-109053570-B Antitumor effect of tetrahydroisoquinoline structure compound 广东医科大学 2022-04-19 CN disclosed
CN-113950477-A Modulators of progranulin and methods of use thereof 阿库达医疗公司 2022-01-18 CN disclosed
CN-106967216-A A kind of covalent organic framework material of imines connection and preparation method and application 吉林大学 2017-07-21 CN disclosed
CN-104324754-B Preparation method and application of bimetallic catalytic photo-functional POM/MOFs 大连理工大学 2017-01-25 CN disclosed
CN-103896938-A Method for preparing solifenacin succinate Chongqing kerui pharmaceutical group co ltd 2014-07-02 CN disclosed
EP-1521583-A1 7,8,9,10-TETRAHYDRO-6H-AZEPINO, 6,7,8,9-TETRAHYDRO-PYRIDO AND 2,3-DIHYDRO-2H-PYRROLO (2,1-B)-QUINAZOLINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2005-04-13 EP disclosed
WO-2004096774-A1 ACYL ISOINDOLINE DERIVATIVES AND ACYL ISOQUINOLINE DERIVATIVES AS ANTI-VIRAL AGENTS GLAXO GROUP LIMITED (GB) 2004-11-11 WO disclosed
WO-2004004733-A1 7,8,9,10-TETRAHYDRO-6H-AZEPINO, 6,7,8,9-TETRAHYDRO-PYRIDO AND 2,3-DIHYDRO-2H-PYRROLO[2,1-B]-QUINAZOLINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2004-01-15 WO disclosed
JP-2001026580-A PRODUCTION OF OPTICALLY ACTIVE 1-ARYL-1,2,3,4- TETRAHYDROQUINOLINE SUMITOMO CHEM CO LTD 2001-01-30 JP disclosed
US-4001244-A 1-ARYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINE CARBONYL CHLORIDES G. D. SEARLE & CO. (US) 1977-01-04 US disclosed