SCHEMBL5210399

SCHEMBL5210399

CC(C)N1CCC(OC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.62
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 1/20 0.48
HPGDS O60760 2/20 0.47
POLB P06746 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5208401 0.91 HRH3 (0.58) HRH3MBTD1TP53BP1L3MBTL4L3MBTL3
SCHEMBL5214338 0.89 HRH3 (0.57) HRH3HPGDALDH1A1HPGDSMBTD1
SCHEMBL5208889 0.85 HRH3 (0.56) HRH3SMN1; SMN2
SCHEMBL5209401 0.85 ALDH1A1 (0.64) HRH3HPGDALDH1A1KDM4EPOLB
SCHEMBL3862050 0.83 HPGDS (0.61) HRH3HPGDALDH1A1KDM4EMAPT
SCHEMBL5210189 0.83 HRH3 (0.50) HRH3ALDH1A1KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3867203 0.82 HPGDS (0.60) HRH3HPGDALDH1A1KDM4EMAPT
SCHEMBL5208300 0.81 L3MBTL3 (0.62) HRH3HPGDALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5213432 0.81 L3MBTL3 (0.60) HRH3HPGDALDH1A1KDM4EMAPT
SCHEMBL5213401 0.80 HRH3 (0.53) HRH3ALDH1A1KDM4EMAPT

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