SCHEMBL6976626

SCHEMBL6976626

CC(C)S(=O)(=O)NN1CC[C@@H](CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.47
HRH2 P25021 15/20 0.47
HRH1 P35367 15/20 0.47
GRIA2 P42262 3/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL6985870 0.86 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL6848079 0.85 HRH2 (0.44) HRH3HRH2HRH1
SCHEMBL6847679 0.84 GPR119 (0.48) HRH3HRH2HRH1
SCHEMBL6987337 0.84 HRH2 (0.45) HRH3HRH2HRH1
SCHEMBL6981316 0.83 HRH2 (0.44) HRH3HRH2HRH1
SCHEMBL6847796 0.82 HRH2 (0.48) HRH3HRH2HRH1
SCHEMBL6848230 0.82 HRH2 (0.46) HRH3HRH2HRH1
SCHEMBL6987544 0.82 HRH2 (0.43) HRH3HRH2HRH1KCNH2
SCHEMBL6842192 0.81 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL6847471 0.81 HRH3 (0.42) 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-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 claimed
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 claimed