SCHEMBL5208501

SCHEMBL5208501

O=C(c1cccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)n1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GNE Q9Y223 1/20 0.46
HSD11B1 P28845 3/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5210164 0.92 HRH3 (0.55) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL5210629 0.83 HRH3 (0.57) HRH3HSD11B1
SCHEMBL5211731 0.83 HRH3 (0.58) HRH3GNEHSD11B1
SCHEMBL5210438 0.83 HRH3 (0.60) HRH3HSD11B1
SCHEMBL5210990 0.78 HRH3 (0.60) HRH3L3MBTL3L3MBTL1
SCHEMBL5212436 0.77 HRH3 (0.59) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL5208546 0.76 HRH3 (0.52) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL5209549 0.75 L3MBTL3 (0.70) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL5213801 0.74 HRH3 (0.56) HRH3
SCHEMBL5212856 0.74 L3MBTL3 (0.68) HRH3MEN1KMT2AL3MBTL3L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed