SCHEMBL4160731

SCHEMBL4160731

c1ccc(CC2NCCc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 1.00
SLC22A1 O15245 1/20 1.00
ADRB2 P07550 1/20 0.66
KDM1A O60341 2/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL29768314 1.00 PRCP (1.00) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL5284097 1.00 PRCP (1.00) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL5812041 1.00 PRCP (1.00) PRCPSLC22A1ADRB2KDM1AGAA
Hydrochloric Acid SCHEMBL8823234 0.98 PRCP (0.97) PRCPSLC22A1ADRB2KDM1AGAA
Water SCHEMBL28203568 0.98 PRCP (0.97) PRCPSLC22A1ADRB2KDM1AGAA
Urea SCHEMBL28457637 0.91 PRCP (0.83) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL10728169 0.87 PRCP (0.77) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL9411161 0.87 PRCP (0.77) PRCPSLC22A1ADRB2KDM1AOPRM1
SCHEMBL10728525 0.86 PRCP (0.74) PRCPSLC22A1ADRB2KDM1ASMN1; SMN2
SCHEMBL12859659 0.84 PRCP (0.71) PRCPSLC22A1KDM4EOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920119-B Preparation method of aporphine alkaloid 中国药科大学 2023-05-23 CN claimed
CN-113004201-B Aporphine alkaloid derivative and preparation method and medical application thereof 中国药科大学 2022-08-05 CN claimed
CN-114075130-A Benzoazaheterocycle compound and preparation method thereof 复旦大学 2022-02-22 CN claimed
CN-113004201-A Aporphine alkaloid derivative and preparation method and medical application thereof 中国药科大学 2021-06-22 CN claimed
CN-112920119-A Preparation method of aporphine alkaloid 中国药科大学 2021-06-08 CN claimed
CN-111621819-B Cyanide-free silver plating brightener and preparation method thereof 广州三孚新材料科技股份有限公司 2021-04-20 CN claimed
CN-111621819-A Cyanide-free silver plating brightener and preparation method thereof 广州三孚新材料科技股份有限公司 2020-09-04 CN claimed
CN-108003099-A A kind of double benzyl tetrahydro isoquinoline class compounds and its preparation method and application 广东工业大学 2018-05-08 CN claimed
CN-103772405-A Dibenzyl tetrahydroisoquinoline alkaloid as well as preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2014-05-07 CN claimed
CN-103772404-A Dibenzyl tetrahydroisoquinoline derivative as well as preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2014-05-07 CN claimed
CN-1312132-C 1-benzyl tetrahydro isoquinoline compound, its preparing process and use thereof UNIV FUDAN (CN) 2007-04-25 CN claimed
CN-1721408-A 1-benzyl tetrahydro isoquinoline compound, its preparing process and use thereof UNIV FUDAN (CN) 2006-01-18 CN claimed
WO-1997036589-A9 USE OF 1-BENZYL-1,2,3,4-TETRAHYHYDROISOQUINOLINE FOR THE MANUFACTURE OF A MEDICAMENT FOR IMPROVING CEREBRAL FUNCTION 1997-12-31 WO claimed
WO-1997036589-A1 USE OF 1-BENZYL-1,2,3,4-TETRAHYHYDROISOQUINOLINE FOR THE MANUFACTURE OF A MEDICAMENT FOR IMPROVING CEREBRAL FUNCTION LEDERLE (JAPAN), LTD. (JP) 1997-10-09 WO claimed
US-4657861-A S-tetrahydroprotoberberineoxidase, process for producing the same and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-04-14 US claimed
US-4556712-A OPTICAL RESOLUTION THROUGH SALT FORMATION AND SOLUBILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1985-12-03 US claimed
EP-0079383-A4 PREPARATION OF CHIRAL 1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES BY OPTICAL RESOLUTION. US SECRETARY UNITED STATES DEP (US) 1984-01-12 EP claimed
US-4410700-A Preparation of chiral 1-benzyl-1,2,3,4-tetrahydroisoquinolines by optical resolution THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-10-18 US claimed
EP-0079383-A1 PREPARATION OF CHIRAL 1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES BY OPTICAL RESOLUTION THE UNITED STATES OF AMERICA as represented by the Secretary UNITED STATES DEPARTMENT OF COMMERCE (US) 1983-05-25 EP claimed
WO-1982004049-A1 PREPARATION OF CHIRAL 1-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINES BY OPTICAL RESOLUTION US HEALTH (US) 1982-11-25 WO claimed