SCHEMBL6846556

SCHEMBL6846556

N#Cc1ccc(-c2ccc(OCCC[C@@H]3CCN(NS(=O)(=O)c4ccc(F)c(Cl)c4)C3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.39
HRH1 P35367 14/20 0.39
HRH3 Q9Y5N1 13/20 0.39
SLC22A12 Q96S37 2/20 0.39
KCNH2 Q12809 1/20 0.38
CNR1 P21554 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL6987654 0.92 HRH2 (0.41) HRH2HRH1HRH3
SCHEMBL6983301 0.91 HRH2 (0.42) HRH2HRH1HRH3
SCHEMBL6847471 0.89 HRH3 (0.42) HRH2HRH1HRH3
SCHEMBL6985870 0.89 HRH2 (0.47) HRH2HRH1HRH3
SCHEMBL6987544 0.88 HRH2 (0.43) HRH2HRH1HRH3KCNH2
SCHEMBL6842485 0.86 HRH2 (0.45) HRH2HRH1HRH3KCNH2
SCHEMBL6847507 0.85 HRH2 (0.50) HRH2HRH1HRH3
SCHEMBL6987337 0.84 HRH2 (0.45) HRH2HRH1HRH3
SCHEMBL6847679 0.84 GPR119 (0.48) HRH2HRH1HRH3
SCHEMBL6981316 0.84 HRH2 (0.44) 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-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
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