SCHEMBL2066096

SCHEMBL2066096

COc1ccc(CC2C3CCCCC3CCN2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
SIGMAR1 Q99720 1/20 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
SCHEMBL8951806 0.82 OPRK1 (0.43) OPRK1HRH3
SCHEMBL11760720 0.76 HRH3 (0.46) HRH3SIGMAR1
SCHEMBL11760698 0.76 HRH3 (0.46) HRH3SIGMAR1
SCHEMBL11768994 0.76 HRH3 (0.46) HRH3SIGMAR1
SCHEMBL11769008 0.76 HRH3 (0.46) HRH3SIGMAR1
SCHEMBL11760710 0.76 HRH3 (0.46) HRH3SIGMAR1
SCHEMBL11766646 0.72 HRH3 (0.45) HRH3SIGMAR1
SCHEMBL11763720 0.72 HRH3 (0.45) HRH3SIGMAR1
SCHEMBL11763716 0.72 HRH3 (0.45) HRH3SIGMAR1
SCHEMBL11499924 0.71 HRH3 (0.50) OPRK1HRH3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233763-B Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2022-03-18 CN claimed
CN-111233763-A Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2020-06-05 CN claimed
CN-111233763-B Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2022-03-18 CN disclosed
CN-111233763-B Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2022-03-18 CN disclosed
CN-111233763-B Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2022-03-18 CN disclosed
CN-111233763-A Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2020-06-05 CN disclosed
CN-111233763-A Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2020-06-05 CN disclosed
CN-111233763-A Preparation method of 1- (4-methoxy-benzyl) -2-methyl-octahydroisoquinoline 苏州敬业医药化工有限公司 2020-06-05 CN disclosed
EP-2628728-B1 PROCESS FOR THE OPTICAL RESOLUTION OF 1-(4-METHOXYBENZYL)-OCTAHYDROISOQUINOLINE DIVI'S LABORATORIES LTD (IN) 2017-04-19 EP disclosed
CN-103319406-A Resolution of 1-(4-methoxybenzyl)-octahydro-isoquinoline DIVIS LAB LTD 2013-09-25 CN disclosed
EP-2628728-A1 Process for the optical resolution of 1-(4-methoxybenzyl)-octahydro-isoquinoline Divi's Laboratories Limited (IN) 2013-08-21 EP disclosed
US-8148527-B1 Resolution of 1-(4-methoxybenzyl)-octahydro-isoquinoline Divi's Laboratories, Ltd. (IN) 2012-04-03 US disclosed
US-5512577-A Bicyclic hexahydroaporphine and 1-benzyloctahydroisoquinoline therapeutic compositions and processes for utilizing said compositions CREIGHTON UNIVERSITY (US) 1996-04-30 US disclosed