SCHEMBL6161877

SCHEMBL6161877

OC(CCCN1CCC(c2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.55
HRH3 Q9Y5N1 1/20 0.53
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
HTR2A P28223 2/20 0.52
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
SIGMAR1 Q99720 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49

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
SCHEMBL6159051 0.88 SLC18A3 (0.61) SLC18A3
SCHEMBL11790517 0.83 DRD2 (0.63) SLC18A3DRD2DRD3HTR2AHTR1A
SCHEMBL6162714 0.82 HTR1A (0.70) DRD2DRD3HTR2AHTR1ASIGMAR1
SCHEMBL9092128 0.82 HTR1A (0.56) SLC18A3DRD2HTR1ASIGMAR1SLC6A4
SCHEMBL6161874 0.82 HRH3 (0.69) HRH3DRD2DRD3HTR2AHTR1A
SCHEMBL6159068 0.80 DRD2 (0.81) SLC18A3HRH3DRD2DRD3HTR2A
SCHEMBL6159055 0.79 HRH3 (0.65) HRH3DRD2DRD3HTR2AHTR1A
SCHEMBL9092197 0.77 DRD2 (0.58) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL9076786 0.77 HTR2A (0.62) DRD2DRD3HTR2AHTR1ASIGMAR1
SCHEMBL10761329 0.76 BCHE (0.64) SLC6A4SLC6A3

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
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