SCHEMBL6847272

SCHEMBL6847272

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.50
HRH1 P35367 14/20 0.50
HSD11B1 P28845 1/20 0.43
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
MGLL Q99685 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL6846594 0.91 HRH2 (0.52) HRH2HRH1MAOBHRH3
SCHEMBL6846770 0.90 HRH2 (0.46) HRH2HRH1HRH3GPR119
SCHEMBL6983618 0.90 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6847916 0.89 HRH2 (0.54) HRH2HRH1MAOBHRH3GPR119
SCHEMBL6849210 0.88 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6842374 0.88 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6847371 0.88 HRH2 (0.61) HRH2HRH1MAOBHRH3GPR119
SCHEMBL6848834 0.88 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6842344 0.88 HRH2 (0.60) HRH2HRH1MAOBHRH3
SCHEMBL6986031 0.88 HRH2 (0.63) HRH2HRH1GPR119

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