SCHEMBL6163067

SCHEMBL6163067

CCC(Oc1ccccc1O)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.44
SLC18A3 Q16572 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DRD2 P14416 3/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL8220687 0.83 SLC18A3 (0.39) SLC18A3
SCHEMBL3888748 0.78 NPC1 (0.36) OPRM1
SCHEMBL8222317 0.75 MMP3 (0.43) MMP3HRH3DRD2MMP2MMP9
SCHEMBL3888745 0.75 NPC1 (0.44) HRH3
SCHEMBL3958696 0.75 NPC1 (0.44) HRH3
SCHEMBL3899545 0.75 NPC1 (0.44) HRH3
SCHEMBL3890404 0.72 SCN9A (0.35) PARP10
SCHEMBL6161283 0.71 DRD2 (0.55) MMP3SLC18A3HRH3SLC6A4DRD2
SCHEMBL6162681 0.71 OPRL1 (0.37) DRD2OPRM1
SCHEMBL27477245 0.69 SLC18A3 (0.57) MMP3SLC18A3HRH3DRD2

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