SCHEMBL6842225

SCHEMBL6842225

CC(=O)c1ccc(OCCC[C@@H]2CCN(NC(=O)c3ccc(C#N)cc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.59
HRH1 P35367 11/20 0.59
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
PTGER4 P35408 2/20 0.40

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
SCHEMBL6986426 0.92 HRH2 (0.49) HRH2HRH1GAAHRH3
SCHEMBL7134601 0.88 HRH2 (0.46) HRH2HRH1GAAHRH3
SCHEMBL6847427 0.87 HRH2 (0.62) HRH2HRH1ALDH1A1MAPTHRH3
SCHEMBL6984761 0.85 HRH2 (0.49) HRH2HRH1HRH3
SCHEMBL6846813 0.83 HRH2 (0.48) HRH2HRH1GAAL3MBTL1HRH3
SCHEMBL6846641 0.82 HRH2 (0.61) HRH2HRH1GAAHRH3
SCHEMBL6842224 0.81 HRH2 (0.58) HRH2HRH1ALDH1A1MAPTGAA
SCHEMBL6847378 0.81 HRH2 (0.46) HRH2HRH1HRH3
SCHEMBL6987144 0.80 HRH3 (0.49) HRH2HRH1HRH3
SCHEMBL6983118 0.79 HRH3 (0.46) HRH2HRH1HRH3

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 4 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
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