SCHEMBL4433508

SCHEMBL4433508

O=C(O)N1CCN(C(=O)c2cccc3c(CN4CCOCC4)c[nH]c23)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.80
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.44
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL2218697 0.89 HRH3 (1.00) HRH3USP2LMNAKMT2AMEN1
SCHEMBL2218090 0.88 HRH3 (1.00) HRH3USP2
SCHEMBL2216419 0.86 HRH3 (1.00) HRH3USP2
SCHEMBL2215845 0.85 HRH3 (0.72) HRH3USP2LMNAKMT2A
SCHEMBL2220961 0.77 HRH3 (1.00) HRH3
SCHEMBL2219845 0.76 HRH3 (1.00) HRH3LMNAKMT2AHTTMEN1
SCHEMBL29479422 0.74 HRH3 (0.58) HRH3KMT2AKDM4EMEN1
SCHEMBL2216786 0.74 HRH3 (1.00) HRH3LMNAKMT2AHTTMEN1
SCHEMBL4433079 0.73 HRH3 (0.47) HRH3USP2HTTMAPK14
SCHEMBL2218428 0.71 HRH3 (1.00) HRH3

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-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed