SCHEMBL8699541

SCHEMBL8699541

OCC(C(O)c1ccc(CN2CCCC2)s1)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HRH4 Q9H3N8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA7 P36544 1/20 0.31

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
SCHEMBL8697829 0.83 HRH3 (0.44) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9032919 0.81 ALDH1A1 (0.40) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9031813 0.79 HRH3 (0.41) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9033011 0.79 HRH3 (0.46) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9035119 0.77 HRH3 (0.39) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL8703126 0.77 HRH3 (0.43) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL8697899 0.76 HRH3 (0.45) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL8697765 0.76 HRH3 (0.43) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9032167 0.75 HRH3 (0.44) HRH3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL8697759 0.74 HRH3 (0.45) HRH3KDM4EALDH1A1TDP1L3MBTL1

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-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed