SCHEMBL6161715

SCHEMBL6161715

c1ccc(Oc2cccc(N3CCN(CC4(c5ccccc5)CC4)CC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A4 P31645 1/20 0.46
DRD2 P14416 5/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH1 P35367 3/20 0.42
DRD3 P35462 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
FAAH O00519 1/20 0.41
DRD4 P21917 3/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6161129 0.79 HTR1A (0.52) SLC6A2SLC6A3SLC6A4DRD2ALDH1A1
SCHEMBL13898515 0.75 OPRL1 (0.51) DRD2LMNAALDH1A1DRD3SIGMAR1
SCHEMBL11510734 0.73 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4MAPTKDM4E
SCHEMBL30228382 0.72 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4MAPTKDM4E
Hydrochloric Acid SCHEMBL7164055 0.71 NPY1R (0.48) SLC6A2SLC6A4DRD2MAPTHRH1
SCHEMBL6160273 0.71 LMNA (0.51) SLC6A2SLC6A3SLC6A4DRD2KCNH2
SCHEMBL6160268 0.71 LMNA (0.51) SLC6A2SLC6A3SLC6A4DRD2KCNH2
SCHEMBL19562130 0.70 SLC6A4 (0.52) SLC6A2SLC6A4KCNH2SIGMAR1DRD4
SCHEMBL8219466 0.70 GAA (0.47) SLC6A2SLC6A3SLC6A4DRD2MAPT
SCHEMBL28906705 0.70 PARP14 (0.48) SLC6A2SLC6A3SLC6A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed