SCHEMBL5213285

SCHEMBL5213285

CC(=O)c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.89
HRH3 Q9Y5N1 9/20 0.70
HRH2 P25021 2/20 0.70
HRH1 P35367 2/20 0.70
MAOB P27338 2/20 0.67
POLB P06746 1/20 0.66
MAPT P10636 1/20 0.66
ALDH1A1 P00352 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KCNH2 Q12809 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PSMB1 P20618 1/20 0.64
PSMB5 P28074 1/20 0.64
PSMB2 P49721 1/20 0.64

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
SCHEMBL6981478 1.00 KDM4E (0.89) KDM4EHRH3HRH2HRH1MAOB
SCHEMBL491803 0.98 KDM4E (0.92) KDM4EHRH3HRH2HRH1MAOB
SCHEMBL5855860 0.97 KDM4E (0.90) KDM4EHRH3HRH2HRH1MAOB
SCHEMBL490099 0.94 KDM4E (0.80) KDM4EHRH3MAOBALDH1A1L3MBTL1
SCHEMBL5856201 0.93 KDM4E (0.78) KDM4EHRH3MAOBALDH1A1L3MBTL1
SCHEMBL6534752 0.92 KDM4E (0.77) KDM4EHRH3ALDH1A1L3MBTL1PSMB1
SCHEMBL12193816 0.91 KDM4E (0.80) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL6052612 0.88 KDM4E (0.71) KDM4EHRH3MAOBALDH1A1L3MBTL1
SCHEMBL7250762 0.87 KDM4E (0.70) KDM4EHRH3HRH2HRH1MAPT
SCHEMBL9530115 0.87 ALDH1A1 (0.81) KDM4EHRH3HRH2HRH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO claimed
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed