SCHEMBL6159068

SCHEMBL6159068

O=C(CCCN1CCC(c2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.81
HTR2A P28223 2/20 0.60
HTR1A P08908 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
DRD1 P21728 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
KCNH2 Q12809 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
MCHR1 Q99705 1/20 0.57
SIGMAR1 Q99720 2/20 0.57
DRD4 P21917 2/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
SLC18A3 Q16572 1/20 0.56

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
SCHEMBL20652674 0.90 DRD2 (1.00) DRD2HTR2AHTR1AMEN1KMT2A
SCHEMBL6159046 0.87 DRD2 (0.60) DRD2HTR2AHTR1AKCNH2SIGMAR1
SCHEMBL6053511 0.83 DRD2 (1.00) DRD2HTR2AHTR1AMEN1KMT2A
SCHEMBL5658996 0.82 DRD2 (0.61) DRD2HRH3MCHR1SIGMAR1
SCHEMBL6161874 0.81 HRH3 (0.69) DRD2HTR2AHTR1AMEN1KMT2A
SCHEMBL6161877 0.80 SLC18A3 (0.55) DRD2HTR2AHTR1ADRD1DRD3
SCHEMBL7375548 0.79 DRD2 (0.68) DRD2HTR2AHTR1AKMT2AOPRM1
SCHEMBL12041706 0.79 S1PR1 (0.69) DRD2KMT2AHRH3SIGMAR1SLC18A3
SCHEMBL5663524 0.79 DRD2 (0.77) DRD2MCHR1
SCHEMBL6159055 0.78 HRH3 (0.65) DRD2HTR2AHTR1ADRD1DRD3

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