SCHEMBL6987125

SCHEMBL6987125

N#Cc1ccc(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 18/20 0.62
HRH1 P35367 18/20 0.62
MAOB P27338 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL6847427 0.91 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL6847916 0.91 HRH2 (0.54) HRH2HRH1MAOBHRH3
SCHEMBL6849210 0.90 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6847371 0.90 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6842374 0.90 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6983618 0.90 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6848834 0.90 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6842344 0.90 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6842184 0.90 HRH2 (0.64) HRH2HRH1MAOBHRH3
SCHEMBL6985870 0.89 HRH2 (0.47) 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-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