SCHEMBL7543112

SCHEMBL7543112

CC(C)(C)OC(=O)N[C@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.62
DRD3 P35462 4/20 0.62
HTR1D P28221 2/20 0.62
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
ACHE P22303 5/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
EPHX2 P34913 1/20 0.41
BTK Q06187 1/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9134353 1.00 DRD2 (0.62) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL353332 1.00 DRD2 (0.62) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL6644445 0.91 DRD2 (0.52) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL8173009 0.85 DRD2 (0.62) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL7007666 0.85 DRD2 (0.62) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL6053198 0.82 DRD2 (0.46) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL5681677 0.82 MTNR1A (0.53) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL7035289 0.82 MTNR1A (0.53) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL6134662 0.82 DRD2 (0.57) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL6134658 0.82 DRD2 (0.57) DRD2DRD3HTR1DMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894787-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-06-12 EP disclosed
US-6136852-A 3,4-disubstituted phenylethanolaminotetralincarboxylic acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0894787-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1999-02-03 EP disclosed
US-5449813-A Phenylethanolamino- and phenylethanolaminomethyl-tetralines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1995-09-12 US disclosed
EP-0500443-B1 Phenylethanolamino- and phenylethanolaminomethyltetralines, process for their preparation, intermediates of this process and pharmaceutical compositions containing them SANOFI SA (FR) 1995-04-26 EP disclosed
US-5401879-A Phenylethanolamino- and phenylethanolaminomethyltetralines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1995-03-28 US disclosed
US-5210276-A PHENYLETHANOLAMINO- AND PHENYLETHANOLAMINOMETHYL-TETRALINES, PROCESS FOR THE PREPARATION THEREOF, INTERMEDIATES IN SAID PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELF SANOFI (FR) 1993-05-11 US disclosed
EP-0500443-A1 Phenylethanolamino- and phenylethanolaminomethyltetralines, process for their preparation, intermediates of this process and pharmaceutical compositions containing them SANOFI (FR) 1992-08-26 EP disclosed
EP-0499755-A1 Phenylethanolaminotetralines, process for their preparation, intermediates of this process and pharmaceutical compositions containing them MIDY S.p.A. (IT) 1992-08-26 EP disclosed