SCHEMBL8697765

SCHEMBL8697765

CCC(N)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9032919 0.86 ALDH1A1 (0.40) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL8697899 0.85 HRH3 (0.45) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL8702811 0.83 HRH3 (0.40) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL8698602 0.82 HRH3 (0.38) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL9033441 0.80 HRH3 (0.43) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL9032167 0.80 HRH3 (0.44) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL9032686 0.79 HRH3 (0.41) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL9034996 0.78 HRH3 (0.43) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL8697829 0.78 HRH3 (0.44) HRH3KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL8703126 0.77 HRH3 (0.43) HRH3KDM4ETDP1L3MBTL1ALDH1A1

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