SCHEMBL8482174

SCHEMBL8482174

O[C@H](COCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCO1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
PDK1 Q15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
DRD4 P21917 2/20 0.34
GRIN2B Q13224 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL8482170 1.00 HRH3 (0.38) HRH3PDK1ALDH1A1GAAPRMT5
SCHEMBL8481007 0.90 DRD4 (0.41) HRH3PDK1PRMT5WDR77DRD4
SCHEMBL8481920 0.88 GRIN2B (0.45) HRH3DRD4GRIN2B
SCHEMBL8482364 0.85 PDK1 (0.40) HRH3PDK1ALDH1A1PRMT5WDR77
SCHEMBL8482066 0.78 DRD4 (0.56) DRD2DRD4
SCHEMBL8480377 0.76 ADORA2A (0.43) HRH3PDK1DRD2DRD4
SCHEMBL8434603 0.76 ADORA2A (0.43) HRH3PDK1DRD2DRD4
SCHEMBL27828848 0.76 ADORA2A (0.43) HRH3PDK1DRD2DRD4
SCHEMBL15689382 0.74 TDP1 (0.47) ALDH1A1
SCHEMBL1552824 0.72 DRD4 (0.38) HRH3PDK1DRD2DRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872117-A TREATING CEREBROVASCULAR DEMENTIA, SENILE DEMENTIA, ALZHEIMER'S DEMENTIA, SEQUELAE OF ISCHEMIC ENCEPHALOPATHY AND CEREBRAL APOPLEXY TOYAMA CHEMICAL CO., LTD. (JP) 1999-02-16 US disclosed
US-5719150-A ALZHEIMER'S DISEASE TOYAMA CHEMICAL CO., LTD. (JP) 1998-02-17 US disclosed
US-5658904-A COGNITION ACTIVATORS; BRAIN DISORDERS; ALZHEIMER*S DISEASE TOYAMA CHEMICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0587194-B1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO LTD (JP) 1997-06-04 EP disclosed
US-5612381-A 1,2-ethanediol derivative and salt thereof process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1997-03-18 US disclosed
US-5472984-A 1,2-ethanediol derivative and salt thereof and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1995-12-05 US disclosed
EP-0589484-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-30 EP disclosed
EP-0587194-A1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed