SCHEMBL6842200

SCHEMBL6842200

CN(N1CC[C@@H](CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
HRH2 P25021 13/20 0.48
HRH1 P35367 13/20 0.48
GPR119 Q8TDV5 5/20 0.47

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
SCHEMBL6847679 0.81 GPR119 (0.48) HRH3HRH2HRH1GPR119
SCHEMBL6978713 0.78 HRH3 (0.50) HRH3HRH2HRH1
SCHEMBL6842171 0.77 HRH3 (0.49) HRH3HRH2HRH1GPR119
SCHEMBL6983478 0.76 HRH3 (0.48) HRH3HRH2HRH1
SCHEMBL6985772 0.75 HRH3 (0.47) HRH3HRH2HRH1GPR119
SCHEMBL6985870 0.75 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL5215848 0.74 HRH3 (0.58) HRH3HRH2HRH1
SCHEMBL6982371 0.74 HRH3 (0.46) HRH3HRH2HRH1GPR119
SCHEMBL6987517 0.74 HRH3 (0.48) HRH3HRH2HRH1
SCHEMBL6987144 0.74 HRH3 (0.49) HRH3HRH2HRH1

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