SCHEMBL6846594

SCHEMBL6846594

O=C(c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)cc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.52
HRH1 P35367 14/20 0.52
HRH3 Q9Y5N1 6/20 0.44
KCNH2 Q12809 1/20 0.43
MAOB P27338 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
SCHEMBL6847553 0.92 HRH2 (0.46) HRH2HRH1HRH3MAOB
SCHEMBL6986031 0.91 HRH2 (0.63) HRH2HRH1
SCHEMBL6847272 0.91 HRH2 (0.50) HRH2HRH1HRH3MAOB
SCHEMBL6983618 0.90 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6846699 0.90 HRH2 (0.51) HRH2HRH1HRH3
SCHEMBL6847916 0.89 HRH2 (0.54) HRH2HRH1HRH3MAOB
SCHEMBL6848834 0.88 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6847371 0.88 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6849210 0.88 HRH2 (0.61) HRH2HRH1HRH3MAOB
SCHEMBL6842374 0.88 HRH2 (0.61) HRH2HRH1HRH3MAOB

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