SCHEMBL8697211

SCHEMBL8697211

O=Cc1ccc(CN2CCCCCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 1/20 0.53
HRH3 Q9Y5N1 5/20 0.45
HRH4 Q9H3N8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8697365 0.98 ADRA1D (0.55) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL21524884 0.84 ADRA1D (0.52) ALDH1A1HTTADRA1DADRA1AADRA1B
SCHEMBL11329325 0.82 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL9034623 0.80 LTA4H (0.43) ADRA1DADRA1AADRA1BHRH3
SCHEMBL8698351 0.77 ADRA1D (0.46) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL31010155 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL26667595 0.74 KDM4E (0.54) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL1474097 0.74 KDM4E (0.69) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL14049765 0.74 KDM4E (0.54) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL621117 0.74 KDM4E (0.69) ALDH1A1KDM4ETDP1L3MBTL1MAPT

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