SCHEMBL6161129

SCHEMBL6161129

c1ccc(Oc2ccccc2N2CCN(CC3(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 4/20 0.52
ADRA1D P25100 10/20 0.48
ADRA1A P35348 10/20 0.48
ADRA1B P35368 8/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6161715 0.79 SLC6A2 (0.46) HTR1ASLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL7723133 0.77 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6159989 0.75 DRD2 (0.40) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL11508466 0.73 SLC6A2 (0.72) HTR1ASLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL8222205 0.73 MAPK1 (0.43) HTR1ASLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL13898515 0.72 OPRL1 (0.51) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL11498523 0.72 SLC6A2 (0.70) HTR1ASLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL6161140 0.71 ALDH1A1 (0.59) HTR1ASLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL6161143 0.71 ALDH1A1 (0.59) HTR1ASLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL19562130 0.70 SLC6A4 (0.52) SLC6A2SLC6A4ADRA1ADRD4

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