SCHEMBL5208830

SCHEMBL5208830

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.53
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
HRH1 P35367 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
Hydrochloric Acid SCHEMBL5215566 0.99 HRH3 (0.52) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5212345 0.87 HRH3 (0.53) HRH3
Hydrochloric Acid SCHEMBL5212707 0.86 HRH3 (0.52) HRH3
SCHEMBL5213282 0.83 HRH3 (0.52) HRH3DRD2DRD4
Hydrochloric Acid SCHEMBL5212064 0.82 HRH3 (0.51) HRH3DRD2DRD4
SCHEMBL5210695 0.81 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL5213593 0.80 HRH3 (0.52) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5209386 0.77 KMT2A (0.57) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5210726 0.77 HRH3 (0.55) HRH3
SCHEMBL5208671 0.77 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1

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