SCHEMBL6161283

SCHEMBL6161283

CCN1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
HRH3 Q9Y5N1 1/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MMP3 P08254 1/20 0.50
SLC18A3 Q16572 2/20 0.49
SLC6A4 P31645 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48

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
SCHEMBL1003503 0.85 DRD2 (0.73) DRD2SLC18A3CARM1PRMT6
SCHEMBL12668153 0.82 DRD2 (0.77) DRD2HRH3KDM4EALDH1A1
SCHEMBL12319791 0.82 DRD2 (0.60) DRD2HRH3MMP3SLC18A3SLC6A4
SCHEMBL7469402 0.82 HRH3 (0.60) DRD2HRH3MMP3SLC18A3CARM1
SCHEMBL27477245 0.81 SLC18A3 (0.57) DRD2HRH3MMP3SLC18A3
SCHEMBL7474765 0.81 HRH3 (0.52) DRD2HRH3MMP3SLC18A3
SCHEMBL3970721 0.79 KDM1A (0.57) HRH3MMP3SLC18A3SLC6A4
SCHEMBL19322267 0.79 KDM1A (0.57) HRH3MMP3SLC18A3SLC6A4
SCHEMBL9912191 0.79 DRD2 (0.65) DRD2SLC18A3CARM1PRMT6
SCHEMBL12041706 0.79 S1PR1 (0.69) DRD2HRH3ALDH1A1MMP3SLC18A3

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