SCHEMBL5211791

SCHEMBL5211791

CN(C)C(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.59
ADRA1A P35348 1/20 0.46
PARP1 P09874 1/20 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
SCHEMBL5209685 0.88 HRH3 (0.75) HRH3ADRA1A
Hydrochloric Acid SCHEMBL5209555 0.85 HRH3 (0.60) HRH3ADRA1A
SCHEMBL5213411 0.85 HRH3 (0.60) HRH3ADRA1APARP1
SCHEMBL5212236 0.83 HRH3 (0.76) HRH3
SCHEMBL5210990 0.83 HRH3 (0.60) HRH3ADRA1A
SCHEMBL5212512 0.83 HRH3 (0.61) HRH3ADRA1A
SCHEMBL5209775 0.83 HRH3 (0.53) HRH3
SCHEMBL5209593 0.80 ALDH1A1 (0.64) HRH3ADRA1A
SCHEMBL1743034 0.80 HRH3 (0.51) HRH3PARP1
SCHEMBL5210629 0.78 HRH3 (0.57) 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 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