SCHEMBL6846779

SCHEMBL6846779

CC(=O)c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.44
HRH1 P35367 4/20 0.44
GPR119 Q8TDV5 4/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
UTS2R Q9UKP6 2/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 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
SCHEMBL5218125 0.90 HRH2 (0.50) HRH2HRH1HRH3
SCHEMBL6847434 0.85 HRH2 (0.49) HRH2HRH1HRH3
SCHEMBL6847427 0.85 HRH2 (0.62) HRH2HRH1GPR119RAB9AHRH3
SCHEMBL6846770 0.84 HRH2 (0.46) HRH2HRH1GPR119RAB9AHRH3
SCHEMBL6847234 0.83 ALDH1A1 (0.47) HRH2HRH1
SCHEMBL6987654 0.83 HRH2 (0.41) HRH2HRH1HRH3
SCHEMBL6847507 0.83 HRH2 (0.50) HRH2HRH1HRH3
SCHEMBL6846776 0.82 HCRTR1 (0.46) HRH2HRH1RAB9AHRH3UTS2R
SCHEMBL6842229 0.81 SMN1; SMN2 (0.52)
SCHEMBL6848230 0.80 HRH2 (0.46) HRH2HRH1GPR119RAB9AHRH3

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