SCHEMBL6161874

SCHEMBL6161874

Fc1ccc(OCCCCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.69
HTR1A P08908 2/20 0.69
DRD2 P14416 2/20 0.69
HTR2A P28223 2/20 0.69
DRD3 P35462 2/20 0.69
DRD1 P21728 1/20 0.69
DRD5 P21918 1/20 0.69
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HRH1 P35367 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
S1PR1 P21453 1/20 0.54

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
SCHEMBL6159055 0.93 HRH3 (0.65) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL20652680 0.89 DRD2 (0.77) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL5888867 0.86 HRH3 (0.68) HRH3MEN1KMT2ATMEM97SIGMAR1
SCHEMBL1382568 0.84 HTR1A (0.81) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL6161877 0.82 SLC18A3 (0.55) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL5888791 0.82 HRH3 (0.74) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL6159068 0.81 DRD2 (0.81) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL6162706 0.81 HTR1A (0.79) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL8011291 0.80 DRD2 (0.65) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL1384170 0.80 HTR1A (0.70) HRH3HTR1ADRD2HTR2ADRD3

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