SCHEMBL6846533

SCHEMBL6846533

COc1ccc(OC)c(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.49
HRH1 P35367 11/20 0.49
STS P08842 1/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CTSC P53634 1/20 0.42
MAPT P10636 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
SCHEMBL6848161 0.88 HRH2 (0.51) HRH2HRH1
SCHEMBL6849210 0.87 HRH2 (0.61) HRH2HRH1LMNAALDH1A1TSHR
SCHEMBL6847540 0.83 HRH2 (0.62) HRH2HRH1
SCHEMBL6846531 0.83 HRH2 (0.47) HRH2HRH1STSLMNAALDH1A1
SCHEMBL6847684 0.82 HRH2 (0.62) HRH2HRH1
SCHEMBL6847916 0.82 HRH2 (0.54) HRH2HRH1
SCHEMBL6848004 0.82 HRH2 (0.62) HRH2HRH1
SCHEMBL6847371 0.81 HRH2 (0.61) HRH2HRH1
SCHEMBL6842344 0.81 HRH2 (0.60) HRH2HRH1
SCHEMBL6986031 0.81 HRH2 (0.63) HRH2HRH1

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