SCHEMBL6849210

SCHEMBL6849210

COc1ccc(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.61
HRH1 P35367 15/20 0.61
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOB P27338 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6847916 0.94 HRH2 (0.54) HRH2HRH1MAOBHRH3
SCHEMBL6847371 0.93 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6983618 0.91 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6842374 0.91 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6848834 0.91 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6842344 0.91 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6848161 0.90 HRH2 (0.51) HRH2HRH1
SCHEMBL6986031 0.90 HRH2 (0.63) HRH2HRH1
SCHEMBL6847819 0.90 HRH2 (0.50) HRH2HRH1HRH3
SCHEMBL6987125 0.90 HRH2 (0.62) HRH2HRH1MAOBHRH3

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-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