SCHEMBL7864553

SCHEMBL7864553

O=C(c1ccc(Cn2cccn2)cc1)N1CC[C@H](N2CCCC2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.62
L3MBTL3 Q96JM7 7/20 0.60
L3MBTL1 Q9Y468 6/20 0.60
MBTD1 Q05BQ5 5/20 0.58
TP53BP1 Q12888 1/20 0.52
L3MBTL4 Q8NA19 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3797392 1.00 HRH3 (0.62) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2881922 0.80 L3MBTL3 (0.74) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL13085892 0.80 L3MBTL3 (0.74) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4765933 0.78 L3MBTL3 (0.71) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2884997 0.78 L3MBTL3 (0.71) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2879388 0.77 HRH3 (0.69) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL2883905 0.77 L3MBTL3 (0.69) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2884059 0.77 HRH3 (1.00) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL15154902 0.76 GAA (0.57) HRH3HDAC1HDAC6
SCHEMBL2884617 0.75 HRH3 (1.00) HRH3L3MBTL3L3MBTL1MBTD1HDAC1

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
WO-2010133544-A1 PIPERAZINE AND AMINOPYRROLIDINE COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2010-11-25 WO disclosed