SCHEMBL5208546

SCHEMBL5208546

O=C(c1cc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)ccn1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.52
L3MBTL3 Q96JM7 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53BP1 Q12888 4/20 0.44
MBTD1 Q05BQ5 1/20 0.43
L3MBTL4 Q8NA19 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
SCHEMBL5210443 0.84 HRH3 (0.48) HRH3TP53BP1
SCHEMBL5212436 0.84 HRH3 (0.59) HRH3L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL5212554 0.82 HRH3 (0.46) HRH3
SCHEMBL5212856 0.80 L3MBTL3 (0.68) HRH3L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL5209549 0.78 L3MBTL3 (0.70) HRH3L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL5208501 0.76 HRH3 (0.58) HRH3L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL5210985 0.75 HRH3 (0.56) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL5210990 0.74 HRH3 (0.60) HRH3L3MBTL3L3MBTL1
SCHEMBL1807784 0.74 ACACB (0.49) HRH3KMT2ATP53BP1
SCHEMBL5212817 0.72 HRH3 (0.61) 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 3 patents. 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
EP-1776347-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2007-04-25 EP disclosed
WO-2006024779-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2006-03-09 WO disclosed