SCHEMBL9137396

SCHEMBL9137396

CC(C)(C)OC(=O)NC1CCc2ccc(CC=O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
DRD2 P14416 4/20 0.44
ACHE P22303 6/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
EPHX2 P34913 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
BTK Q06187 1/20 0.40
KCNA3 P22001 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
SCHEMBL9134483 0.85 MTNR1A (0.40) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL7545419 0.84 MTNR1A (0.45) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL7545412 0.84 MTNR1A (0.45) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL9133654 0.83 MTNR1A (0.48) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL9132121 0.83 MTNR1A (0.48) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL9132707 0.83 MTNR1A (0.48) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL9136687 0.82 CA1 (0.64) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL5677299 0.82 CA1 (0.64) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL5722246 0.82 CA1 (0.64) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL7545778 0.81 MTNR1A (0.42) MTNR1AMTNR1BDRD2ACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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