SCHEMBL8698602

SCHEMBL8698602

NC(Cc1ccccc1)C(O)c1ccc(CN2CCCC2)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PRMT6 Q96LA8 1/20 0.35
SLC15A1 P46059 1/20 0.35

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
SCHEMBL8702811 0.99 HRH3 (0.40) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL9032919 0.84 ALDH1A1 (0.40) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL8703407 0.83 HRH3 (0.39) HRH3ALDH1A1KDM4ELTA4HSIGMAR1
SCHEMBL8697765 0.82 HRH3 (0.43) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL9033216 0.81 ALDH1A1 (0.40) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL8697899 0.80 HRH3 (0.45) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL9034996 0.79 HRH3 (0.43) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL9032167 0.78 HRH3 (0.44) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL9034048 0.74 KDM4E (0.43) HRH3ALDH1A1KDM4EMAPTHTT
SCHEMBL8701081 0.73 SIGMAR1 (0.38) HRH3ALDH1A1LTA4HSIGMAR1SLC6A3

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 3 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
CN-1121713-A serine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-05-01 CN disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed