SCHEMBL5221219

SCHEMBL5221219

CC(=O)c1ccc(OCCCN2CCCC2NC(=O)[C@H](C)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HRH2 P25021 8/20 0.46
HRH1 P35367 8/20 0.46
HRH3 Q9Y5N1 10/20 0.43

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
SCHEMBL7105701 0.87 HRH2 (0.53) KDM4EHRH2HRH1HRH3
SCHEMBL5216009 0.83 HRH2 (0.54) KDM4EHRH2HRH1HRH3
SCHEMBL5218206 0.83 HRH2 (0.54) KDM4EHRH2HRH1HRH3
SCHEMBL5217780 0.82 KDM4E (0.59) KDM4EHRH2HRH1HRH3
SCHEMBL5216362 0.78 KDM4E (0.54) KDM4EHRH2HRH1HRH3
SCHEMBL5216544 0.76 KDM4E (0.51) KDM4EHRH2HRH1HRH3
SCHEMBL7966211 0.75 HRH2 (0.58) KDM4EHRH2HRH1HRH3
SCHEMBL7979503 0.75 HRH2 (0.58) KDM4EHRH2HRH1HRH3
SCHEMBL5214617 0.74 HRH2 (0.67) KDM4EHRH2HRH1HRH3
SCHEMBL5215408 0.74 HRH2 (0.69) KDM4EHRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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