SCHEMBL5211150

SCHEMBL5211150

CC(C)N1CCC(OC2CCN(c3ccc(C(=O)N4CCCC4)cn3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.61
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL5209401 0.91 ALDH1A1 (0.64) HRH3KDM4EALDH1A1POLBHPGD
Hydrochloric Acid SCHEMBL5210915 0.85 HRH3 (0.73) HRH3
SCHEMBL5210990 0.83 HRH3 (0.60) HRH3KDM4EALDH1A1POLBHPGD
SCHEMBL5212236 0.83 HRH3 (0.76) HRH3
SCHEMBL5210748 0.83 HRH3 (0.76) HRH3
SCHEMBL5208401 0.83 HRH3 (0.58) HRH3
SCHEMBL5214338 0.82 HRH3 (0.57) HRH3ALDH1A1HPGD
SCHEMBL5210281 0.82 HRH3 (0.77) HRH3
SCHEMBL1860307 0.81 ALDH1A1 (0.60) HRH3KDM4EALDH1A1POLBHPGD
SCHEMBL6821107 0.79 ALDH1A1 (0.67) KDM4EALDH1A1POLBHPGDALOX15

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