SCHEMBL5209401

SCHEMBL5209401

CC(C)N1CCC(OC2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HRH3 Q9Y5N1 17/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ADRA1A P35348 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
SCHEMBL5211150 0.91 HRH3 (0.61) ALDH1A1HRH3KDM4EPOLBHPGD
SCHEMBL5210399 0.85 HRH3 (0.62) ALDH1A1HRH3KDM4EPOLBHPGD
SCHEMBL5209593 0.84 ALDH1A1 (0.64) ALDH1A1HRH3KDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL5210915 0.83 HRH3 (0.73) HRH3
SCHEMBL5210748 0.81 HRH3 (0.76) HRH3
SCHEMBL5212236 0.81 HRH3 (0.76) HRH3
SCHEMBL5208889 0.80 HRH3 (0.56) HRH3
SCHEMBL5213801 0.80 HRH3 (0.56) HRH3
SCHEMBL5210281 0.79 HRH3 (0.77) HRH3
SCHEMBL1744040 0.79 ALDH1A1 (0.62) ALDH1A1HRH3KDM4EPOLBHPGD

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