SCHEMBL5210985

SCHEMBL5210985

O=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KCNH2 Q12809 1/20 0.46
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
HRH1 P35367 1/20 0.43
AKR1C3 P42330 1/20 0.42

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
SCHEMBL5212436 0.91 HRH3 (0.59) HRH3L3MBTL3L3MBTL1KCNH2MBTD1
SCHEMBL5208300 0.85 L3MBTL3 (0.62) HRH3SMN1; SMN2L3MBTL3L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL5213432 0.84 L3MBTL3 (0.60) HRH3SMN1; SMN2L3MBTL3L3MBTL1KCNH2
SCHEMBL5212817 0.84 HRH3 (0.61) HRH3
SCHEMBL5208889 0.84 HRH3 (0.56) HRH3SMN1; SMN2AKR1C3
SCHEMBL14431499 0.83 HRH3 (0.75) HRH3
SCHEMBL5210105 0.83 HRH3 (0.60) HRH3HRH1
SCHEMBL5212438 0.80 HRH3 (0.60) HRH3KCNH2HRH1
SCHEMBL5211397 0.80 HRH3 (0.57) HRH3HRH1
SCHEMBL5209593 0.80 ALDH1A1 (0.64) HRH3SMN1; SMN2L3MBTL3L3MBTL1

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