SCHEMBL23115288

SCHEMBL23115288

c1ccc(CC2NCCC3=C2CCCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.55
PRCP P42785 1/20 0.55
ADRB2 P07550 1/20 0.49
GRIN2B Q13224 1/20 0.48
POLB P06746 1/20 0.44
HTR2A P28223 4/20 0.42
HTR2C P28335 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL23135179 1.00 SLC22A1 (0.55) SLC22A1PRCPADRB2GRIN2BPOLB
SCHEMBL23115291 1.00 SLC22A1 (0.55) SLC22A1PRCPADRB2GRIN2BPOLB
SCHEMBL11363948 0.88 SLC22A1 (0.44) SLC22A1PRCPADRB2GRIN2B
SCHEMBL19427432 0.85 TBXA2R (0.52) SLC22A1PRCPADRB2GRIN2BKDM1A
SCHEMBL2065898 0.85 DRD2 (0.55) SLC22A1PRCPADRB2HTR2AHTR2C
SCHEMBL16591499 0.85 PRCP (0.40) SLC22A1PRCPADRB2KDM1A
SCHEMBL19427420 0.85 DRD2 (0.55) SLC22A1PRCPADRB2HTR2AHTR2C
SCHEMBL19427382 0.85 PRCP (0.40) SLC22A1PRCPADRB2KDM1A
Water SCHEMBL9452384 0.84 DRD2 (0.54) SLC22A1PRCPADRB2HTR2AHTR2C
Oxalic Acid SCHEMBL11370939 0.83 MEN1 (0.44) SLC22A1PRCPADRB2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110643650-B Preparation method of (S) -1-benzyl-1, 2,3,4,5,6,7, 8-octahydroisoquinoline compound 复旦大学 2023-03-07 CN claimed
US-11345941-B2 Method for preparing (S)-1-benzyl-1,2,3,4,5,6,7,8-octahydroisoquinoline compound FUDAN UNIVERSITY (CN) 2022-05-31 US claimed
US-20210087595-A1 METHOD FOR PREPARING (S)-1-BENZYL-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE COMPOUND FUDAN UNIVERSITY (CN) 2021-03-25 US claimed
CN-110643650-A Preparation method of (S) -1-benzyl-1, 2,3,4,5,6,7, 8-octahydroisoquinoline compound 复旦大学 2020-01-03 CN claimed
CN-106632038-B A kind of method for splitting of octahydro isoquinolin Jiming Medical Science and Technology (Suzhou) Co., Ltd. (CN) 2019-10-29 CN claimed
CN-104761496-B Synthesis method of dextromethorphan intermediate 华东理工大学 2017-05-24 CN claimed
CN-106632038-A Resolution method of octahydro isoquinoline 暨明医药科技(苏州)有限公司 2017-05-10 CN claimed
CN-103073494-B The preparation method that ent-3-methoxyl group is muttered SUZHOU LIXIN PHARMACY CO., LTD. (CN) 2015-10-07 CN claimed
CN-103073495-B The preparation method that a kind of ent-3-methoxyl group is muttered SUZHOU LIXIN PHARMACY CO., LTD. (CN) 2015-08-05 CN claimed
CN-103044327-B Preparation method of dextromethorphan Suzhou lixin pharmaceutical co ltd 2014-12-17 CN claimed
CN-103265489-A Preparation method of ent-(14S)-3-methoxyl-17-morphinan Suzhou lixin pharmaceutical co ltd 2013-08-28 CN claimed
CN-103073494-A Preparation method of ent-3-methoxymorphinan Suzhou lixin pharmaceutical co ltd 2013-05-01 CN claimed
CN-103073495-A Preparation method for ent-3-methoxy-morphinan Suzhou lixin pharmaceutical co ltd 2013-05-01 CN claimed
CN-103058929-A Preparation method of octahydro isoquinoline derivative Suzhou lixin pharmaceutical co ltd 2013-04-24 CN claimed
CN-103058928-A Preparation method of dextromethorphan intermediate 1-(4-methoxyl) benzyl-1,2,3,4,5,6,7,8-octahydro isoquinoline Suzhou lixin pharmaceutical co ltd 2013-04-24 CN claimed
CN-102219737-B Preparation process for key intermediate 1-(4-methoxyl)benzyl-1,2,3,4,5,6,7,8-octahydro isoquinoline (mixed isomer) of dextromethorphan hydrobromide serving as cough relieving medicine JIANGSU BAOZONG BAODA PHARMACEUTICAL CO LTD 2012-12-12 CN claimed
CN-102219737-A Preparation process for key intermediate 1-(4-methoxyl)benzyl-1,2,3,4,5,6,7,8-octahydro isoquinoline (mixed isomer) of dextromethorphan hydrobromide serving as cough relieving medicine JIANGSU BAOZONG BAODA PHARMACEUTICAL CO LTD 2011-10-19 CN claimed
CN-110643650-B Preparation method of (S) -1-benzyl-1, 2,3,4,5,6,7, 8-octahydroisoquinoline compound 复旦大学 2023-03-07 CN disclosed
CN-103044327-A Preparation method of dextromethorphan Suzhou lixin pharmaceutical co ltd 2013-04-17 CN disclosed
CN-102219737-A Preparation process for key intermediate 1-(4-methoxyl)benzyl-1,2,3,4,5,6,7,8-octahydro isoquinoline (mixed isomer) of dextromethorphan hydrobromide serving as cough relieving medicine JIANGSU BAOZONG BAODA PHARMACEUTICAL CO LTD 2011-10-19 CN disclosed