SCHEMBL5127782

SCHEMBL5127782

OCCCC(OCCCN1CCCC1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.39
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4955705 0.82 HRH3 (0.41) HRH3KDM4ECYP2D6ALDH1A1
SCHEMBL4686233 0.81 CYP3A4 (0.34) HRH3CYP2D6
SCHEMBL1718577 0.80 CYP3A4 (0.36) HRH3CYP2D6MEN1KMT2A
SCHEMBL4955698 0.73 HRH3 (0.41) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL5492084 0.72 CNR2 (0.35) HRH3KDM4ECYP2D6ALDH1A1SMN1; SMN2
SCHEMBL18024004 0.71 HRH3 (0.50) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL9129 0.70
SCHEMBL18024010 0.70 HRH3 (0.53) HRH3SMN1; SMN2
SCHEMBL3958321 0.68 L3MBTL1 (0.43) HRH3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10957514 0.68 HRH3 (0.65) HRH3KDM4ECYP2D6ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP claimed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO claimed