SCHEMBL7086445

SCHEMBL7086445

CC(=O)c1ccc(OCCCCl)cc1.CCc1ccccc1OCCCN1CCCC1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 7/20 0.42
HRH2 P25021 5/20 0.41
HRH1 P35367 5/20 0.41
LTA4H P09960 2/20 0.41
CYP2D6 P10635 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
SCHEMBL5217780 0.86 KDM4E (0.59) L3MBTL1KDM4EMEN1KMT2AHRH3
SCHEMBL5216362 0.77 KDM4E (0.54) L3MBTL1KDM4EMEN1KMT2AHRH3
SCHEMBL5218206 0.76 HRH2 (0.54) L3MBTL1KDM4EHRH3HRH2HRH1
SCHEMBL5216009 0.74 HRH2 (0.54) KDM4EMEN1KMT2AHRH3HRH2
SCHEMBL5214617 0.73 HRH2 (0.67) L3MBTL1KDM4EHRH3HRH2HRH1
SCHEMBL5215408 0.73 HRH2 (0.69) KDM4EHRH3HRH2HRH1
SCHEMBL5221219 0.71 KDM4E (0.47) KDM4EHRH3HRH2HRH1
SCHEMBL5216544 0.71 KDM4E (0.51) KDM4EHRH3HRH2HRH1
SCHEMBL5215403 0.70 HRH3 (0.64) HRH3HRH2HRH1
SCHEMBL1751111 0.69 L3MBTL1 (0.57) L3MBTL1KDM4EMEN1KMT2AHRH3

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-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 disclosed
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 disclosed