SCHEMBL7414355

SCHEMBL7414355

Clc1ccc(/C=C/CC2CCCCN2CC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
LTA4H P09960 2/20 0.36
MAOB P27338 2/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
KDM2B Q8NHM5 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7414359 1.00 HRH3 (0.44) HRH3OPRM1OPRL1LTA4HMAOB
SCHEMBL7414398 0.87 MAOB (0.35) HRH3MAOBKDM2BHTR2AHTR2C
SCHEMBL7422060 0.87 HTR2A (0.37) MAOBHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7414389 0.87 MAOB (0.35) HRH3MAOBKDM2BHTR2AHTR2C
SCHEMBL7422054 0.87 HTR2A (0.37) MAOBHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7407659 0.86 SIGMAR1 (0.46) HRH3OPRM1LTA4HHTR2AHTR2C
SCHEMBL7410376 0.86 SIGMAR1 (0.46) HRH3OPRM1LTA4HHTR2AHTR2C
SCHEMBL7414839 0.86 SIGMAR1 (0.46) HRH3OPRM1LTA4HHTR2AHTR2C
SCHEMBL6857578 0.86 SIGMAR1 (0.41) SIGMAR1
SCHEMBL6859020 0.86 SIGMAR1 (0.41) SIGMAR1

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 7 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 claimed
US-6013656-A PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-01-11 US claimed
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