SCHEMBL7415772

SCHEMBL7415772

O=C(C1CCC1)N1CCCCC1CC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM3 P20309 2/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL7415767 1.00 HRH3 (0.43) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7406854 0.96 HRH3 (0.44) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7408764 0.96 HRH3 (0.44) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7412640 0.96 ALDH1A1 (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7412149 0.96 HRH3 (0.44) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7412636 0.96 ALDH1A1 (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7414444 0.92 KDM4E (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7414441 0.92 KDM4E (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7414755 0.92 KDM4E (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL7417944 0.84 TRPM8 (0.40) HRH3ALDH1A1KDM4ESMN1; SMN2HPGD

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 5 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
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