SCHEMBL5209775

SCHEMBL5209775

CN(C)C(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.53
HRH1 P35367 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
KDM2B Q8NHM5 2/20 0.46
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.41

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
SCHEMBL5209386 0.86 KMT2A (0.57) HRH3HRH1L3MBTL3L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL5213050 0.85 KMT2A (0.56) HRH3HRH1L3MBTL3L3MBTL1MBTD1
SCHEMBL5210695 0.83 HRH3 (0.53) HRH3HRH1L3MBTL3L3MBTL1MBTD1
SCHEMBL5208671 0.83 HRH3 (0.53) HRH3HRH1L3MBTL3L3MBTL1MBTD1
SCHEMBL5211791 0.83 HRH3 (0.59) HRH3
SCHEMBL5211397 0.83 HRH3 (0.57) HRH3HRH1
SCHEMBL5210119 0.82 HRH3 (0.55) HRH3HRH1L3MBTL3L3MBTL1MBTD1
SCHEMBL5208660 0.82 HRH3 (0.55) HRH3HRH1L3MBTL3L3MBTL1MBTD1
SCHEMBL20579629 0.82 OPRD1 (0.43) HRH3MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL5210768 0.82 HRH3 (0.56) HRH3HRH1

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