SCHEMBL7417752

SCHEMBL7417752

CC(C)(C)OC(=O)N1CCCCC1C/C=C/c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AHCY P23526 3/20 0.43
OPRK1 P41145 2/20 0.42
APP P05067 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL7417755 1.00 HRH3 (0.47) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7415471 0.90 KMT2A (0.44) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7415474 0.90 KMT2A (0.44) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7421452 0.89 ALDH1A1 (0.44) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7421448 0.89 ALDH1A1 (0.44) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7816624 0.89 MEN1 (0.54) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7417065 0.89 MEN1 (0.54) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7412171 0.89 OPRK1 (0.46) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL7416274 0.88 PTGS2 (0.46) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL7416272 0.88 PTGS2 (0.46) HRH3ALDH1A1MEN1KMT2ALMNA

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
EP-0734379-B1 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF PARKE DAVIS (FR) 2001-03-07 EP disclosed
EP-0995436-A2 Ligands for sigma receptors and their therapeutical applications PARKE-DAVIS (FR) 2000-04-26 EP disclosed
US-6013656-A PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-01-11 US disclosed
US-5849760-A 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors INSTITUT DE RECHERCHE JOUVEINAL (FR) 1998-12-15 US disclosed
EP-0734379-A1 NOVEL 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1996-10-02 EP disclosed
WO-1995015948-A1 NOVEL 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (FR) 1995-06-15 WO disclosed