SCHEMBL6163074

SCHEMBL6163074

ON=C(CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
MMP3 P08254 1/20 0.46
PARP14 Q460N5 2/20 0.44
PARP10 Q53GL7 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
SLC18A3 Q16572 1/20 0.43
DRD2 P14416 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL6161142 0.82 SIGMAR1 (0.58) HRH3MMP3PARP14PARP10SIGMAR1
SCHEMBL6161283 0.76 DRD2 (0.55) HRH3MMP3SLC18A3DRD2
SCHEMBL6159046 0.75 DRD2 (0.60) MMP3PARP14PARP10SIGMAR1SLC18A3
SCHEMBL7474955 0.74 ALDH1A1 (0.66) MMP3DRD2
SCHEMBL7478048 0.74 MMP3 (0.45) HRH3MMP3PARP14PARP10SIGMAR1
Benzene SCHEMBL6163077 0.74 PARP10 (0.47) HRH3MMP3PARP14PARP10
SCHEMBL7469402 0.73 HRH3 (0.60) HRH3MMP3SIGMAR1SLC18A3DRD2
SCHEMBL27477245 0.73 SLC18A3 (0.57) HRH3MMP3SLC18A3DRD2
SCHEMBL12041706 0.73 S1PR1 (0.69) HRH3MMP3SIGMAR1SLC18A3DRD2
SCHEMBL7477521 0.72 CHRM4 (0.59) HRH3MMP3SIGMAR1

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