SCHEMBL6846808

SCHEMBL6846808

CC(=O)c1ccc(OCCCC2CCCN2NC(=O)C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.47
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 6/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6842224 0.82 HRH2 (0.58) KDM4EL3MBTL1GAAHRH2HRH1
SCHEMBL6848227 0.81 KDM4E (0.46) KDM4EL3MBTL1GAAHRH2HRH1
SCHEMBL6846632 0.80 HRH2 (0.60) KDM4EHRH2HRH1HRH3SMN1; SMN2
SCHEMBL6846776 0.80 HCRTR1 (0.46) KDM4EL3MBTL1HRH2HRH1HRH3
SCHEMBL6846813 0.79 HRH2 (0.48) KDM4EL3MBTL1GAAHRH2HRH1
SCHEMBL6847424 0.78 HRH2 (0.59) KDM4EL3MBTL1HRH2HRH1MEN1
SCHEMBL6846767 0.78 HRH3 (0.45) KDM4EL3MBTL1HRH2HRH1HRH3
SCHEMBL6847912 0.76 HRH2 (0.51) L3MBTL1HRH2HRH1HRH3MAOB
SCHEMBL6847409 0.76 KMT2A (0.42) KDM4EHRH2HRH1MEN1KMT2A
SCHEMBL6847794 0.75 HRH2 (0.49) HRH2HRH1HRH3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed