SCHEMBL6848755

SCHEMBL6848755

O=C(c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.63
HRH1 P35367 16/20 0.63
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL6842221 0.90 HRH2 (0.63) HRH2HRH1
SCHEMBL6842148 0.90 HRH2 (0.63) HRH2HRH1
SCHEMBL6848834 0.89 HRH2 (0.61) HRH2HRH1
SCHEMBL6842344 0.89 HRH2 (0.60) HRH2HRH1
SCHEMBL6842184 0.89 HRH2 (0.64) HRH2HRH1
SCHEMBL5218125 0.89 HRH2 (0.50) HRH2HRH1
SCHEMBL6847507 0.88 HRH2 (0.50) HRH2HRH1
SCHEMBL6846699 0.87 HRH2 (0.51) HRH2HRH1
SCHEMBL6847434 0.87 HRH2 (0.49) HRH2HRH1
SCHEMBL6847684 0.85 HRH2 (0.62) HRH2HRH1HTR1AHTR7

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 6 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
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