SCHEMBL11086396

SCHEMBL11086396

O=C(NCCCOc1cccc(CN2CCCC2)c1)c1cccc(C(=O)NCCCOc2cccc(CN3CCCC3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.75
ALDH1A1 P00352 1/20 0.75
HRH2 P25021 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66

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
SCHEMBL10837381 0.94 KDM4E (0.74) KDM4EALDH1A1HRH2HRH3
SCHEMBL10838747 0.93 KDM4E (0.69) KDM4EALDH1A1HRH2HRH3
SCHEMBL10838350 0.90 KDM4E (0.74) KDM4EALDH1A1HRH2HRH3
SCHEMBL11229224 0.89 KDM4E (0.67) KDM4EALDH1A1HRH2HRH3
SCHEMBL10838753 0.89 KDM4E (0.70) KDM4EALDH1A1HRH2HRH3
SCHEMBL11107907 0.89 KDM4E (0.65) KDM4EALDH1A1HRH2HRH3
SCHEMBL11094138 0.89 KDM4E (0.64) KDM4EALDH1A1HRH2HRH3
SCHEMBL10837355 0.88 KDM4E (0.69) KDM4EALDH1A1HRH2HRH3
SCHEMBL11103851 0.88 KDM4E (0.66) KDM4EALDH1A1HRH2HRH3
SCHEMBL11103614 0.88 KDM4E (0.64) KDM4EALDH1A1HRH2HRH3

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
US-4433154-A ANTIHISTAMINES, ANTIULCER AGENTS SHIONOGI & COMPANY, LIMITED (JP) 1984-02-21 US claimed
US-4433154-A ANTIHISTAMINES, ANTIULCER AGENTS SHIONOGI & COMPANY, LIMITED (JP) 1984-02-21 US disclosed